Basic information
- CAS
874289-21-1- Standard SMILES
O=C(NCCO)c1ccc(B(O)O)cc1F- InChIKey
RNKVHZGEFMLELU-UHFFFAOYSA-N- Molecular formula
- C9H11BFNO4
- Average molar mass
- 227 g/mol
- Monoisotopic mass
- 227.0765162
Names & identifiers
- Preferred name
- (3-Fluoro-4-((2-hydroxyethyl)carbamoyl)phenyl)boronic acid
- IUPAC
- [3-fluoro-4-(2-hydroxyethylcarbamoyl)phenyl]boronic acid
- English name
- 3-Fluoro-4-(2-hydroxyethylcarbamoyl)phenylboronic acid
- Molecular formula
- C9H11BFNO4
- Molecular weight
- 227
Names & synonyms
874289-21-1(3-Fluoro-4-((2-hydroxyethyl)carbamoyl)phenyl)boronic acidN-(2-Hydroxyethyl) 4-borono-2-fluorobenzamide[3-fluoro-4-(2-hydroxyethylcarbamoyl)phenyl]boronic acid3-Fluoro-4-[(2-hydroxyethyl)carbamoyl]benzeneboronic acidMFCD08689535{3-Fluoro-4-[(2-hydroxyethyl)carbamoyl]phenyl}boronic acid(3-Fluoro-4-((2-hydroxyethyl)carbamoyl)-phenyl)boronic acid3-fluoro-4-(2-hydroxyethylcarbamoyl)phenylboronic acidSCHEMBL14743123(3-Fluoro-4-((2-hydroxyethyl)carbamoyl)phenyl)boronicacidDTXSID60660265
Show more names
3-Fluoro-4-[(2-hydroxyethyl)carbamoyl]benzeneboronicacid98%3-Fluoro-4-[(2-hydroxyethyl)carbamoyl]benzeneboronic acid 98%[3-fluoro-4-[(2-hydroxyethylamino)-oxomethyl]phenyl]boronic acidBoronic acid, B-[3-fluoro-4-[[(2-hydroxyethyl)amino]carbonyl]phenyl]-
RNKVHZGEFMLELU-UHFFFAOYSA-NSBB097071AKOS015833597PS-9561SB79874DB-348167CS-0175054H11677
Properties
Computed structural properties
- Topological polar surface area
- 89.8 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 242
Physicochemical properties
- Melting point
- 217 · 217-219
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 7.01 · 7.01±0.17(Predicted)
- form
- solid
- color
- Off white
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2931900090 · 2931900090
Safety & regulation
Safety data
- hs_code
- 2931900090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers14 total
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
天水屹垚化学有限公司0938-0938-8493022 15379872136 · [email protected]
南京圣亿来化工有限公司19951936396 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
上海祺弘医药科技有限公司13482681346 18117455885 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
2 records
Compound notes
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