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N-Boc-2,6-difluoroaniline

HCID 21939655
NotesReactions
Basic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
745833-17-4
Standard SMILES
CC(C)(C)OC(=O)Nc1c(F)cccc1F
InChIKey
QBRORDIPGULCFR-UHFFFAOYSA-N
Molecular formula
C11H13F2NO2
Average molar mass
229.22 g/mol
Monoisotopic mass
229.0914351

Names & identifiers

Preferred name
N-Boc-2,6-difluoroaniline
IUPAC
tert-butyl N-(2,6-difluorophenyl)carbamate
English name
N-Boc-2,6-difluoroaniline
Molecular formula
C11H13F2NO2
Molecular weight
229.22

Names & synonyms

745833-17-4N-BOC-2,6-DIFLUOROANILINEN-BOC 2,6-difluoroanilineTERT-BUTYL N-(2,6-DIFLUOROPHENYL)CARBAMATEMFCD04112558tert-butyl 2,6-difluorophenylcarbamatetert-butyl (2,6-difluorophenyl)carbamateBoc-2,6-difluoroanilineSCHEMBL1610508DTXSID40620428QBRORDIPGULCFR-UHFFFAOYSA-NAKOS014476358
Show more names
tert-butoxycarbonylamino-2,6-difluorobenzene1,1-Dimethylethyl N-(2,6-difluorophenyl)carbamateCarbamicacid,N-(2,6-difluorophenyl)-,1,1-dimethylethylesterCARBAMIC ACID, (2,6-DIFLUOROPHENYL)-, 1,1-DIMETHYLETHYL ESTER
BS-24538

Database identifiers

CAS
745833-17-4
PubChem CID
21939655
DTXSID
DTXSID40620428

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
38.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
16
Formal charge
0
Complexity
243

Physicochemical properties

storage temp.
2 · 2-8°C

Chemistry & industry

Suppliers25 total

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
宁波亿诺化学品有限公司86-574-27787657 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
安耐吉化学&3A(安徽泽升科技有限公司)021-58432009 400-005-6266 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
赛纳斯特化学(欢迎点击联系)021-60343070
上海马氏化学科技有限公司19916721580 · [email protected]
AN PharmaTech Co Ltd86(21)68097365 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]

Related reactions

7 records
New reaction record
HRID 92226 reaction equation
HRID 92226As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 293429 reaction equation
HRID 293429As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 1242668 reaction equation
HRID 1242668As reactantuspto-grants-2006_10
HRID 1257093 reaction equation
HRID 1257093As reactantuspto-grants-2013_06
HRID 1663467 reaction equation
HRID 1663467As reactantuspto-grants-2011_10
HRID 2360724 reaction equation
HRID 2360724As reactantuspto-grants-2014_04
HRID 2390948 reaction equation
HRID 2390948As reactantuspto-grants-2012_09

Compound notes

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On this pageBasic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
重庆艾思摩尔科技有限公司023-86822659 18611316925 · [email protected]
安泰精细化工技术有限公司18503026267 · [email protected]
成都同创源医药科技有限公司028-83379370 13880556291 · [email protected]
上海万千化工有限公司18796480002 18796480002 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
济南药研药物化学有限公司[email protected]
上海智乾生物科技有限公司[email protected]
南京美韬医药科技有限公司[email protected] · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Golden Pharma Co., Limited+86-18958062155 · [email protected]