Basic information
- CAS
69321-23-9- Standard SMILES
CNc1ccc(N=Nc2cccc(C(=O)O)c2)cc1- InChIKey
CHIBMAIXHZCOMZ-UHFFFAOYSA-N- Molecular formula
- C14H13N3O2
- Average molar mass
- 255.27 g/mol
- Monoisotopic mass
- 255.10077667
Names & identifiers
- Preferred name
- BENZOIC ACID, m-((p-METHYLAMINOPHENYL)AZO)-
- IUPAC
- 3-[[4-(methylamino)phenyl]diazenyl]benzoic acid
Names & synonyms
BENZOIC ACID, m-((p-METHYLAMINOPHENYL)AZO)-69321-23-93-[[4-(methylamino)phenyl]diazenyl]benzoic acidm-((p-Methylaminophenyl)azo)benzoic acidBenzoic acid, 3-((4-(methylamino)phenyl)azo)-orb1986416CHIBMAIXHZCOMZ-UHFFFAOYSA-NDTXSID901037889AKOS040750763T30390Benzoic acid, 3-[2-[4-(methylamino)phenyl]diazenyl]-
Database identifiers
- CAS
69321-23-9- PubChem CID
- 50366
- DTXSID
DTXSID901037889- Nikkaji
- J83.457B
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 74.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 325
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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