Basic information
- CAS
3682-56-2- Standard SMILES
O=C(O)c1ccccc1N=Nc1ccccc1- InChIKey
UVOKEWIIBKIDIY-UHFFFAOYSA-N- Molecular formula
- C13H10N2O2
- Average molar mass
- 226.23 g/mol
- Monoisotopic mass
- 226.07422757
Names & identifiers
- Preferred name
- 2-(Phenylazo)benzoic acid
- IUPAC
- 2-phenyldiazenylbenzoic acid
- English name
- Azobenzene-2-carboxylic acid
- Molecular formula
- C13H10N2O2
- Molecular weight
- 226.23
Names & synonyms
2-(PHENYLAZO)BENZOIC ACID3682-56-2Benzoic acid, 2-(phenylazo)-azobenzene carboxylic acidSCHEMBL169230SCHEMBL2481541SCHEMBL10652911SCHEMBL10652915SCHEMBL28903951SCHEMBL30884072UVOKEWIIBKIDIY-CCEZHUSRSA-N2-[(E)-Phenyldiazenyl]benzoic acid #
Show more names
2-phenyldiazenylbenzoicacidAzobenzene-2-carboxylic acidBenzoic acid, 2-(2-phenyldiazenyl)-
Database identifiers
- CAS
3682-56-2- PubChem CID
- 19356
- Nikkaji
- J1.206.459D、J79.833I
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 62 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 285
Physicochemical properties
- Melting point
- 97 · 97-98 °C
- Boiling point
- 414.7 · 414.7±28.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- pka
- 3.44 · 3.44±0.36(Predicted)
Chemistry & industry
Suppliers2 total
深圳市创鑫生物科技有限公司13417589054 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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