Basic information
- CAS
56177-39-0- Standard SMILES
O=C(O)c1cccc(NC(=O)C(Cl)(Cl)Cl)c1- InChIKey
NVEFEJPHLKPKIK-UHFFFAOYSA-N- Molecular formula
- C9H6Cl3NO3
- Average molar mass
- 282.5 g/mol
- Monoisotopic mass
- 280.941326
Names & identifiers
- Preferred name
- 3-[(2,2,2-Trichloroacetyl)amino]benzoic acid
- IUPAC
- 3-[(2,2,2-trichloroacetyl)amino]benzoic acid
- English name
- 3-[(Trichloroacetyl)amino]benzoic acid
- Molecular formula
- C9H6Cl3NO3
- Molecular weight
- 282.51
Names & synonyms
3-[(2,2,2-trichloroacetyl)amino]benzoic acid56177-39-03-((2,2,2-Trichloroacetyl)amino)benzoic acidRefChem:2728633-[(Trichloroacetyl)amino]benzoic acidBenzoic acid, 3-[(trichloroacetyl)amino]-3-(2,2,2-TRICHLOROACETAMIDO)BENZOIC ACIDNVEFEJPHLKPKIK-UHFFFAOYSA-NDTXSID901259209STK390183AKOS0054417243-[(Trichloroacetyl)amino]benzoic acid #
Show more names
Benzoic acid, 3-[(2,2,2-trichloroacetyl)amino]-
3-(2,2,2-trichloroacetylamino)benzoic acidST50942871
Database identifiers
- CAS
56177-39-0- PubChem CID
- 596222
- DTXSID
DTXSID901259209- Nikkaji
- J130.471B
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
- 290
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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