Basic information
- CAS
65542-16-7- Standard SMILES
CN(Cc1ccc(C#N)cc1)N=Nc1ccc(C(=O)O)cc1- InChIKey
GJQMFLTWFFYRLD-UHFFFAOYSA-N- Molecular formula
- C16H14N4O2
- Average molar mass
- 294.31 g/mol
- Monoisotopic mass
- 294.1116757
Names & identifiers
- Preferred name
- p-(3-(p-Cyanobenzyl)-3-methyl-1-triazeno)benzoic acid
- IUPAC
- 4-[[(4-cyanophenyl)methyl-methylamino]diazenyl]benzoic acid
- English name
- p-[3-(p-Cyanobenzyl)-3-methyl-1-triazeno]benzoic acid
- Molecular formula
- C16H14N4O2
- Molecular weight
- 294.31
Names & synonyms
65542-16-7BRN 1824304p-(3-(p-Cyanobenzyl)-3-methyl-1-triazeno)benzoic acidBENZOIC ACID, p-(3-(p-CYANOBENZYL)-3-METHYL-1-TRIAZENO)-NSC 267009NSC267009DTXSID408779704-{3-[(4-CYANOPHENYL)METHYL]-3-METHYLTRIAZ-1-EN-1-YL}BENZOIC ACIDNSC-2670094-[3-[(4-Cyanophenyl)methyl]-3-methyl-1-triazen-1-yl]benzoic acidp-[3-(p-Cyanobenzyl)-3-methyl-1-triazeno]benzoic acidBenzoic acid, 4-[3-[(4-cyanophenyl)methyl]-3-methyl-1-triazen-1-yl]-
Database identifiers
- CAS
65542-16-7- PubChem CID
- 47666
- DTXSID
DTXSID40877970- Nikkaji
- J87.184B
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 440
Experimental & physicochemical properties
LogP3.6
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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