Basic information
- CAS
65542-17-8- Standard SMILES
Cc1ccc(CN(C)N=Nc2ccc(C(=O)O)cc2)cc1- InChIKey
UZYAHEMKIISOPE-UHFFFAOYSA-N- Molecular formula
- C16H17N3O2
- Average molar mass
- 283.32 g/mol
- Monoisotopic mass
- 283.13207679
Names & identifiers
- Preferred name
- p-(3-(p-Methylbenzyl)-3-methyl-1-triazeno)benzoic acid
- IUPAC
- 4-[[methyl-[(4-methylphenyl)methyl]amino]diazenyl]benzoic acid
- English name
- p-[3-(p-Methylbenzyl)-3-methyl-1-triazeno]benzoic acid
- Molecular formula
- C16H17N3O2
- Molecular weight
- 283.33
Names & synonyms
65542-17-8BRN 1823007p-(3-(p-Methylbenzyl)-3-methyl-1-triazeno)benzoic acidNSC267010BENZOIC ACID, p-(3-(p-METHYLBENZYL)-3-METHYL-1-TRIAZENO)-DTXSID00877996NSC 267010NSC-267010P(3(P-MEBENZYL)3ME-1TRIAZENO)BENZOICACID4-{(1E)-3-Methyl-3-[(4-methylphenyl)methyl]triaz-1-en-1-yl}benzoic acidp-[3-(p-Methylbenzyl)-3-methyl-1-triazeno]benzoic acidBenzoic acid, 4-[3-methyl-3-[(4-methylphenyl)methyl]-1-triazen-1-yl]-
Database identifiers
- CAS
65542-17-8- PubChem CID
- 47667
- DTXSID
DTXSID00877996- Nikkaji
- J87.229F
Properties
Computed structural properties
- XLogP
- 4.2
- 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
- 357
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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