Basic information
- CAS
874289-16-4- Standard SMILES
CC(C)NC(=O)c1ccc(B(O)O)cc1F- InChIKey
DZWRVLZSUCBLOK-UHFFFAOYSA-N- Molecular formula
- C10H13BFNO3
- Average molar mass
- 225.03 g/mol
- Monoisotopic mass
- 225.0972516
Names & identifiers
- Preferred name
- (3-Fluoro-4-(isopropylcarbamoyl)phenyl)boronic acid
- IUPAC
- [3-fluoro-4-(propan-2-ylcarbamoyl)phenyl]boronic acid
- English name
- 3-Fluoro-4-(isopropylcarbamoyl)benzeneboronic acid
- Molecular formula
- C10H13BFNO3
- Molecular weight
- 225.02
Names & synonyms
874289-16-4(3-Fluoro-4-(isopropylcarbamoyl)phenyl)boronic acidN-Isopropyl 4-borono-2-fluorobenzamide3-Fluoro-4-(isopropylcarbamoyl)benzeneboronic acidMFCD084360403-fluoro-4-(isopropylcarbamoyl)phenylboronic acid[3-fluoro-4-(propan-2-ylcarbamoyl)phenyl]boronic acid{3-Fluoro-4-[(propan-2-yl)carbamoyl]phenyl}boronic acid[3-Fluoro-4-(isopropylcarbamoyl)phenyl]boronic acid(3-Fluoro-4-(isopropylcarbamoyl)phenyl)boronicacid(3-Fluoro-4-(isopropylcarbamoyl)-phenyl)boronic acidSCHEMBL13717846
Show more names
3-Fluoro-4-(isopropylcarbamoyl)benzeneboronicacid98%3-Fluoro-4-(isopropylcarbamoyl)benzeneboronic acid 98%Boronic acid, B-[3-fluoro-4-[[(1-methylethyl)amino]carbonyl]phenyl]-
DTXSID00660204DZWRVLZSUCBLOK-UHFFFAOYSA-NSBB096765AKOS015833570SB80084BS-24034DB-348177CS-0175077
Database identifiers
Properties
Computed structural properties
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 250
Physicochemical properties
- Melting point
- 137 · 137-139
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
- pka
- 7.03 · 7.03±0.17(Predicted)
- CAS DataBase Reference
- 874289 · 874289-16-4
- Symbol(GHS)
- 7 · GHS07
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Hazard Note
- Irritant/Keep Cold
- HS Code
- 2931900090 · 2931900090
Safety & regulation
Safety data
- hs_code
- 2931900090
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant/Keep Cold
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers20 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
安徽合诺生物科技有限公司0555-2761852
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]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
安徽合诺生物科技有限公司18455579438
南京代盟化工有限公司02566880956 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
聊城莱博特生物医药科技有限公司0635-893290 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
南京圣亿来化工有限公司19951936396 · [email protected]
武汉凯威斯科技有限公司
Related reactions
1 records
Compound notes
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