4-Chloro-2-fluoro-3-methylbenzoic acid
Basic information
- Standard SMILES
Cc1c(Cl)ccc(C(=O)O)c1F- InChIKey
COXKHUZMLXVVTE-UHFFFAOYSA-N- Molecular formula
- C8H6ClFO2
- Average molar mass
- 188.58 g/mol
- Monoisotopic mass
- 188.0040353
Names & identifiers
- Preferred name
- 4-Chloro-2-fluoro-3-methylbenzoic acid
- IUPAC
- 4-chloro-2-fluoro-3-methylbenzoic acid
Names & synonyms
4-chloro-2-fluoro-3-methylbenzoic acid153556-55-94-CHLORO-2-FLUORO-3-METHYL-BENZOIC ACIDMFCD171698084-CHLORO-2-FLUORO-3-METHYL-BENZOIC4-chloro-2-fluoro-3-methylbenzoicacidSCHEMBL7573655COXKHUZMLXVVTE-UHFFFAOYSA-NAKOS023100401DS-19368DB-195487Benzoic acid, 4-chloro-2-fluoro-3-methyl-
Show more names
CS-00611474-Chloro-2-fluoro-3-methylbenzoic acid, 97%A10576F517546
Database identifiers
- PubChem CID
- 15313762
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 186
Related reactions
8 records
Compound notes
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