Basic information
- CAS
65542-15-6- Standard SMILES
CN(Cc1ccc([N+](=O)[O-])cc1)N=Nc1ccc(C(=O)O)cc1- InChIKey
WQUKDBHBKGMTDS-UHFFFAOYSA-N- Molecular formula
- C15H14N4O4
- Average molar mass
- 314.3 g/mol
- Monoisotopic mass
- 314.10150494
Names & identifiers
- Preferred name
- p-(3-Methyl-3-(p-nitrobenzyl)-1-triazeno)benzoic acid
- IUPAC
- 4-[[methyl-[(4-nitrophenyl)methyl]amino]diazenyl]benzoic acid
- English name
- p-[3-Methyl-3-(p-nitrobenzyl)-1-triazeno]benzoic acid
- Molecular formula
- C15H14N4O4
- Molecular weight
- 314.3
Names & synonyms
65542-15-6BRN 1827326p-(3-Methyl-3-(p-nitrobenzyl)-1-triazeno)benzoic acidNSC267008BENZOIC ACID, p-(3-METHYL-3-(p-NITROBENZYL)-1-TRIAZENO)-DTXSID708777414-{3-METHYL-3-[(4-NITROPHENYL)METHYL]TRIAZ-1-EN-1-YL}BENZOIC ACIDNSC 267008NSC-267008DS-0148074-[Methyl-[(4-nitrophenyl)methyl]amino]diazenylbenzoic acid4-[3-Methyl-3-[(4-nitrophenyl)methyl]-1-triazen-1-yl]benzoic acid
Show more names
p-[3-Methyl-3-(p-nitrobenzyl)-1-triazeno]benzoic acidBenzoic acid, 4-[3-methyl-3-[(4-nitrophenyl)methyl]-1-triazen-1-yl]-
Database identifiers
- CAS
65542-15-6- PubChem CID
- 47665
- DTXSID
DTXSID70877741- Nikkaji
- J87.233D
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 435
Experimental & physicochemical properties
LogP4.03
Physicochemical properties
- Melting point
- 156 °C · 156 °C
- Boiling point
- 528.5 · 528.5±60.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- pka
- 4.17 · 4.17±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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