Benzoic acid, 4-[(trichloroacetyl)amino]-
Basic information
- CAS
56177-40-3- Standard SMILES
O=C(O)c1ccc(NC(=O)C(Cl)(Cl)Cl)cc1- InChIKey
ZNHLAFVHZHAMJZ-UHFFFAOYSA-N- Molecular formula
- C9H6Cl3NO3
- Average molar mass
- 282.5 g/mol
- Monoisotopic mass
- 280.941326
Names & identifiers
- Preferred name
- Benzoic acid, 4-[(trichloroacetyl)amino]-
- IUPAC
- 4-[(2,2,2-trichloroacetyl)amino]benzoic acid
- English name
- 4-[(Trichloroacetyl)amino]benzoic acid
- Molecular formula
- C9H6Cl3NO3
- Molecular weight
- 282.51
Names & synonyms
Benzoic acid, 4-[(trichloroacetyl)amino]-56177-40-3Benzoic acid, 4-((trichloroacetyl)amino)-4-(2,2,2-TRICHLOROACETAMIDO)BENZOIC ACIDSCHEMBL8828273DTXSID50971559ZNHLAFVHZHAMJZ-UHFFFAOYSA-NAKOS0159705284-[(Trichloroacetyl)amino]benzoic acid #4-[(Trichloroacetyl)amino]benzoic acidBenzoic acid, 4-[(2,2,2-trichloroacetyl)amino]-
Database identifiers
- CAS
56177-40-3- PubChem CID
- 92040
- DTXSID
DTXSID50971559- Nikkaji
- J130.472K
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 282
Physicochemical properties
- Boiling point
- 441.9 · 441.9±45.0 °C(Predicted)
- Density
- 1.669 · 1.669±0.06 g/cm3(Predicted)
- pka
- 4.13 · 4.13±0.10(Predicted)
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Related reactions
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Compound notes
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