Basic information
- CAS
1518644-27-3- Standard SMILES
O=C(O)c1ccccc1-c1ccc(Cl)cc1F- InChIKey
ANTDOZHUPIWPON-UHFFFAOYSA-N- Molecular formula
- C13H8ClFO2
- Average molar mass
- 250.65 g/mol
- Monoisotopic mass
- 250.0196853
Names & identifiers
- Preferred name
- 2-(4-Chloro-2-fluorophenyl)benzoic acid
- IUPAC
- 2-(4-chloro-2-fluorophenyl)benzoic acid
Names & synonyms
1518644-27-32-(4-chloro-2-fluorophenyl)benzoic acidRefChem:457189828-387-94'-chloro-2'-fluoro-[1,1'-biphenyl]-2-carboxylic acidSCHEMBL23354236TKC64427AKOS018762392EN300-6489576
Database identifiers
- CAS
1518644-27-3- PubChem CID
- 80200312
- EC Number
- 828-387-9
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 285
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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