Basic information
- CAS
135030-72-7- Standard SMILES
O=C(O)c1ccccc1C(=O)c1ccc(F)cc1F- InChIKey
YOMFNHXCYPMSOQ-UHFFFAOYSA-N- Molecular formula
- C14H8F2O3
- Average molar mass
- 262.21 g/mol
- Monoisotopic mass
- 262.04415056
Names & identifiers
- Preferred name
- 2-(2,4-difluorobenzoyl)benzoic Acid
- IUPAC
- 2-(2,4-difluorobenzoyl)benzoic acid
- English name
- 2-(2,4-Difluorobenzoyl)benzoic acid
- Molecular formula
- C14H8F2O3
- Molecular weight
- 262.21
Names & synonyms
2-(2,4-difluorobenzoyl)benzoic Acid135030-72-7Benzoic acid, 2-(2,4-difluorobenzoyl)-Oprea1_471669Oprea1_709200SCHEMBL8864704DTXSID50428896YOMFNHXCYPMSOQ-UHFFFAOYSA-N2-(2,4-difluorobenzoyl)benzoicAcidAKOS002384340
Database identifiers
- CAS
135030-72-7- PubChem CID
- 7730336
- DTXSID
DTXSID50428896- Nikkaji
- J1.509.017K
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 359
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
Safety & regulation
Safety data
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
环生美森医药技术（山东）有限公司0531-88762217 18301471076 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
4 records
Compound notes
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