Basic information
- CAS
1261977-82-5- Standard SMILES
N#Cc1ccc(-c2ccc(F)c(C(=O)O)c2)cc1- InChIKey
HCQQUNUBYJYRTL-UHFFFAOYSA-N- Molecular formula
- C14H8FNO2
- Average molar mass
- 241.22 g/mol
- Monoisotopic mass
- 241.05390666
Names & identifiers
- Preferred name
- 5-(4-Cyanophenyl)-2-fluorobenzoic acid
- IUPAC
- 5-(4-cyanophenyl)-2-fluorobenzoic acid
- English name
- 5-(4-Cyanophenyl)-2-fluorobenzoic acid
- Molecular formula
- C14H8FNO2
- Molecular weight
- 241.22
Names & synonyms
1261977-82-55-(4-CYANOPHENYL)-2-FLUOROBENZOIC ACID4'-Cyano-4-fluoro-[1,1'-biphenyl]-3-carboxylic acidMFCD18319153[1,1'-Biphenyl]-3-carboxylic acid, 4'-cyano-4-fluoro-4'-Cyano-4-fluoro-[1,1'-biphenyl]-3-carboxylicacidDTXSID30688815AKOS0158885695-(4-cyanophenyl)-2-fluoro-benzoic acidBS-203704'-Cyano-4-fluoro[1,1'-biphenyl]-3-carboxylic acid1,1'-Biphenyl]-3-carboxylic acid, 4'-cyano-4-fluoro-
Database identifiers
- CAS
1261977-82-5- PubChem CID
- 53225083
- DTXSID
DTXSID30688815
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 61.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 354
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers5 total
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]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
河南梦泰医药科技有限公司17634413542 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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