Basic information
- CAS
65542-14-5- Standard SMILES
CN(Cc1ccc(Cl)cc1)N=Nc1ccc(C(=O)O)cc1- InChIKey
XUNAJGRWRKIEPV-UHFFFAOYSA-N- Molecular formula
- C15H14ClN3O2
- Average molar mass
- 303.74 g/mol
- Monoisotopic mass
- 303.0774544
Names & identifiers
- Preferred name
- p-(3-(p-Chlorobenzyl)-3-methyl-1-triazeno)benzoic acid
- IUPAC
- 4-[[(4-chlorophenyl)methyl-methylamino]diazenyl]benzoic acid
- English name
- p-[3-(p-Chlorobenzyl)-3-methyl-1-triazeno]benzoic acid
- Molecular formula
- C15H14ClN3O2
- Molecular weight
- 303.74
Names & synonyms
65542-14-5p-(3-(p-Chlorobenzyl)-3-methyl-1-triazeno)benzoic acidBRN 1824049NSC267007BENZOIC ACID, p-(3-(p-CHLOROBENZYL)-3-METHYL-1-TRIAZENO)-DTXSID308777224-{3-[(4-CHLOROPHENYL)METHYL]-3-METHYLTRIAZ-1-EN-1-YL}BENZOIC ACIDNSC 267007NSC-2670074-[3-[(4-Chlorophenyl)methyl]-3-methyl-1-triazen-1-yl]benzoic acidp-[3-(p-Chlorobenzyl)-3-methyl-1-triazeno]benzoic acidBenzoic acid, 4-[3-[(4-chlorophenyl)methyl]-3-methyl-1-triazen-1-yl]-
Database identifiers
- CAS
65542-14-5- PubChem CID
- 47664
- DTXSID
DTXSID30877722- Nikkaji
- J87.178H
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 65.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 362
Physicochemical properties
- Melting point
- 168 °C · 168 °C(Solv: methanol (67-56-1))
- Boiling point
- 470.2 · 470.2±55.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- 4.19 · 4.19±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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