Basic information
- CAS
1214386-81-8- Standard SMILES
O=C(O)c1cc(-c2ccccc2F)ccc1F- InChIKey
YHAAEKUKRQEETK-UHFFFAOYSA-N- Molecular formula
- C13H8F2O2
- Average molar mass
- 234.2 g/mol
- Monoisotopic mass
- 234.04923582
Names & identifiers
- Preferred name
- 5-(2-Fluorophenyl)-2-fluorobenzoic acid
- IUPAC
- 2-fluoro-5-(2-fluorophenyl)benzoic acid
- English name
- 5-(2-Fluorophenyl)-2-fluorobenzoic acid
- Molecular formula
- C13H8F2O2
- Molecular weight
- 234.2
Names & synonyms
1214386-81-85-(2-FLUOROPHENYL)-2-FLUOROBENZOIC ACID2',4-Difluoro-[1,1'-biphenyl]-3-carboxylic acid2-fluoro-5-(2-fluorophenyl)benzoic acidMFCD14699227[1,1'-Biphenyl]-3-carboxylic acid, 2',4-difluoro-2',4-Difluoro-[1,1'-biphenyl]-3-carboxylicacidSCHEMBL18742254SCHEMBL29360995DTXSID10673365AKOS011780182BS-20945
Show more names
CS-02096012',4-Difluoro[1,1'-biphenyl]-3-carboxylic acid
Database identifiers
- CAS
1214386-81-8- PubChem CID
- 46312331
- DTXSID
DTXSID10673365
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 283
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- 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]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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