4-(3-Chloro-4-hydroxyphenyl)benzoic acid
Basic information
- CAS
96460-02-5- Standard SMILES
O=C(O)c1ccc(-c2ccc(O)c(Cl)c2)cc1- InChIKey
DSZNKPIJQYKSHJ-UHFFFAOYSA-N- Molecular formula
- C13H9ClO3
- Average molar mass
- 248.66 g/mol
- Monoisotopic mass
- 248.0240218
Names & identifiers
- Preferred name
- 4-(3-Chloro-4-hydroxyphenyl)benzoic acid
- IUPAC
- 4-(3-chloro-4-hydroxyphenyl)benzoic acid
- English name
- 4-(2-Amino-3-fluorophenyl)benzoic acid
- Molecular formula
- C13H9ClO3
- Molecular weight
- 248.66
Names & synonyms
96460-02-54-(3-chloro-4-hydroxyphenyl)benzoic acid3'-Chloro-4'-hydroxy-[1,1'-biphenyl]-4-carboxylic acid4-(4-CARBOXYPHENYL)-2-CHLOROPHENOL4-(4-Carboxyphenyl)-2-chlorophenol, 95%[1,1'-Biphenyl]-4-carboxylic acid, 3'-chloro-4'-hydroxy-MFCD019101274-(3-chloro-4-hydroxy-phenyl)benzoic AcidOprea1_836083DTXSID90406153AKOS002663269CS-0353966
Show more names
4-(2-Amino-3-fluorophenyl)benzoic acid4-(5-Amino-2-fluorophenyl)benzoic acid4-(4-Amino-2-fluorophenyl)benzoic acid4-(3-Chloro-5-hydroxyphenyl)benzoic acid4-(5-Chloro-2-hydroxyphenyl)benzoic acid4-hydroxy-3-chlorobiphenyl-4'-carboxylic acid4-(2-Hydroxy-6-(trifluoromethyl)phenyl)benzoic acid4-(2-Hydroxy-5-(trifluoromethyl)phenyl)benzoic acid4-(2-Hydroxy-4-(trifluoromethyl)phenyl)benzoic acid
EN300-3305423'-Chloro-4'-hydroxy[1,1'-biphenyl]-4-carboxylic acidZ234888286
Database identifiers
- CAS
96460-02-5- PubChem CID
- 4737571
- DTXSID
DTXSID90406153
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 274
Physicochemical properties
- Boiling point
- 425.868 · 425.868±35.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.4 · 1.400±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.032 · 4.032±0.10(predicted)
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Compound notes
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