3-(Chlorocarbonyl)benzoic acid
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Basic information
- CAS
32276-56-5- Standard SMILES
O=C(O)c1cccc(C(=O)Cl)c1- InChIKey
OHFLNNVKHIOKKU-UHFFFAOYSA-N- Molecular formula
- C8H5ClO3
- Average molar mass
- 184.57 g/mol
- Monoisotopic mass
- 183.9927217
Names & identifiers
- Preferred name
- 3-(Chlorocarbonyl)benzoic acid
- IUPAC
- 3-carbonochloridoylbenzoic acid
- English name
- Benzoic acid, 3-(chlorocarbonyl)- (9CI)
- Molecular formula
- C8H5ClO3
- Molecular weight
- 184.58
Names & synonyms
32276-56-53-(Chlorocarbonyl)benzoic acidDTXSID50459761RefChem:275250DTXCID604105803-(carbonochloridoyl)benzoic acid3-carbonochloridoylbenzoic Acid3-(carboxy)benzoic acidBenzoic acid, 3-(chlorocarbonyl)- (9CI)3-chlorocarbonylbenzoic acidisophthalic acid mono-chlorideSCHEMBL3796206
Show more names
3-(carbonochloridoyl)benzoicacidBenzoic acid, 3-(chlorocarbonyl)-AKOS006294750DB-285624CS-0345372EN300-125087
Database identifiers
- CAS
32276-56-5- PubChem CID
- 11240862
- DTXSID
DTXSID50459761- Nikkaji
- J27.028H
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Boiling point
- 339.9 · 339.9±25.0 °C(Predicted)
- Density
- 1.437 · 1.437±0.06 g/cm3(Predicted)
- pka
- 3.69 · 3.69±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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