Basic information
- CAS
52549-90-3- Standard SMILES
O=C(O)c1cc2ccccc2c(N=Nc2ccccc2Cl)c1O- InChIKey
PWNKEFHOLISQSS-UHFFFAOYSA-N- Molecular formula
- C17H11ClN2O3
- Average molar mass
- 326.7 g/mol
- Monoisotopic mass
- 326.0458199
Names & identifiers
- Preferred name
- 4-((2-Chlorophenyl)azo)-3-hydroxy-2-naphthoic acid
- IUPAC
- 4-[(2-chlorophenyl)diazenyl]-3-hydroxynaphthalene-2-carboxylic acid
- English name
- 4-[(2-chlorophenyl)azo]-3-hydroxy-2-naphthoic acid
- Molecular formula
- C17H11ClN2O3
- Molecular weight
- 326.73
Names & synonyms
52549-90-34-((2-Chlorophenyl)azo)-3-hydroxy-2-naphthoic acid4-[(2-Chlorophenyl)azo]-3-hydroxy-2-naphthoic acidEINECS 258-000-3PWNKEFHOLISQSS-UHFFFAOYSA-NDTXSID201158187DB-305338NS000580374-[(2-Chlorophenyl)diazenyl]-3-hydroxynaphthalene-2-carboxylic acid4-[2-(2-Chlorophenyl)diazenyl]-3-hydroxy-2-naphthalenecarboxylic acid4-[(2-Chlorophenyl)azo]-3-hydroxy-2-naphthalenecarboxylic acid2-Naphthalenecarboxylic acid, 4-[2-(2-chlorophenyl)diazenyl]-3-hydroxy-
Database identifiers
- CAS
52549-90-3- PubChem CID
- 104233
- DTXSID
DTXSID201158187- EC Number
- 258-000-3
- Nikkaji
- J295.693D
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 82.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 459
Physicochemical properties
- Boiling point
- 543.7 · 543.7±50.0 °C(Predicted)
- Density
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- pka
- 2.6 · 2.60±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…