3-(3-Chloro-4-methoxycarbonylphenyl)-5-nitrobenzoic acid
Basic information
- CAS
1261940-59-3- Standard SMILES
COC(=O)c1ccc(-c2cc(C(=O)O)cc([N+](=O)[O-])c2)cc1Cl- InChIKey
SNLFAJZDNBQQQY-UHFFFAOYSA-N- Molecular formula
- C15H10ClNO6
- Average molar mass
- 335.69 g/mol
- Monoisotopic mass
- 335.0196647
Names & identifiers
- Preferred name
- 3-(3-Chloro-4-methoxycarbonylphenyl)-5-nitrobenzoic acid
- IUPAC
- 3-(3-chloro-4-methoxycarbonylphenyl)-5-nitrobenzoic acid
Names & synonyms
1261940-59-33-(3-CHLORO-4-METHOXYCARBONYLPHENYL)-5-NITROBENZOIC ACIDMFCD18322671DTXSID806920233-(3-chloro-4-methoxycarbonyl-phenyl)-5-nitro-benzoic acid3-(3-Chloro-4-methoxycarbonylphenyl)-5-nitrobenzoic acid, 95%3'-Chloro-4'-(methoxycarbonyl)-5-nitro[1,1'-biphenyl]-3-carboxylic acid
Database identifiers
- CAS
1261940-59-3- PubChem CID
- 53228490
- DTXSID
DTXSID80692023
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 479
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Compound notes
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