Basic information
- CAS
304458-17-1- Standard SMILES
CN(C)c1ccc(N=Nc2ccccc2C(=O)O)c(C(=O)O)c1- InChIKey
CPOKMVDHWRXWKT-UHFFFAOYSA-N- Molecular formula
- C16H15N3O4
- Average molar mass
- 313.31 g/mol
- Monoisotopic mass
- 313.10625597
Names & identifiers
- Preferred name
- Benzoic acid, 2-[2-(2-carboxyphenyl)diazenyl]-5-(dimethylamino)-
- IUPAC
- 2-[(2-carboxyphenyl)diazenyl]-5-(dimethylamino)benzoic acid
Names & synonyms
DTXSID701037938Benzoic acid, 2-[2-(2-carboxyphenyl)diazenyl]-5-(dimethylamino)-304458-17-1
Database identifiers
- CAS
304458-17-1- PubChem CID
- 3753166
- DTXSID
DTXSID701037938
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 466
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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