Basic information
- CAS
306935-74-0- Standard SMILES
O=C(O)C=CC(=O)Nc1ccc(Cl)cc1- InChIKey
FBTQVXSNFILAQY-UHFFFAOYSA-N- Molecular formula
- C10H8ClNO3
- Average molar mass
- 225.63 g/mol
- Monoisotopic mass
- 225.0192708
Names & identifiers
- Preferred name
- 3-[(4-Chlorophenyl)carbamoyl]prop-2-enoic acid
- IUPAC
- 4-(4-chloroanilino)-4-oxobut-2-enoic acid
- English name
- 4-(4-Chloroanilino)-4-oxobut-2-enoic acid
- Molecular formula
- C10H8ClNO3
- Molecular weight
- 225.63
Names & synonyms
3-[(4-chlorophenyl)carbamoyl]prop-2-enoic acid114328-56-2SCHEMBL10298144'-CHLOROMALEANILIC ACIDAKOS0302301444-(4-chloroanilino)-4-oxo-but-2-enoic acidTIMTEC-BB SBB0006554-(4-Chloroanilino)-4-oxobut-2-enoic acid4-OXO-4-(4-CHLOROPHENYLAMINO)-2-BUTENOIC ACID2-Butenoic acid, 4-[(4-chlorophenyl)amino]-4-oxo-
Database identifiers
- CAS
306935-74-0- PubChem CID
- 243245
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 270
Physicochemical properties
- Melting point
- 200 °C · 200 °C
- Boiling point
- 466.2 · 466.2±45.0 °C(Predicted)
- Density
- 1.448 · 1.448±0.06 g/cm3(Predicted)
- pka
- 3.44 · 3.44±0.10(Predicted)
Chemistry & industry
Suppliers7 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
2 records
Compound notes
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