Basic information
- CAS
303063-55-0- Standard SMILES
O=C(O)c1ccccc1C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl- InChIKey
WSFPGQKOLUGESZ-UHFFFAOYSA-N- Molecular formula
- C14H8Cl2N2O5
- Average molar mass
- 355.1 g/mol
- Monoisotopic mass
- 353.9810267
Names & identifiers
- Preferred name
- 2-[(2,6-Dichloro-4-nitrophenyl)carbamoyl]benzoic acid
- IUPAC
- 2-[(2,6-dichloro-4-nitrophenyl)carbamoyl]benzoic acid
Names & synonyms
Oprea1_7844822-[(2,6-dichloro-4-nitrophenyl)carbamoyl]benzoic acid2-[[(2,6-Dichloro-4-nitrophenyl)amino]carbonyl]benzoic acidDTXSID801190985303063-55-0SR-01000397371SR-01000397371-1
Database identifiers
- CAS
303063-55-0- PubChem CID
- 3545342
- DTXSID
DTXSID801190985
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 472
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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