(5,6-Dimethyl-1h-benzotriazol-1-yl)(phenyl)methanone
Basic information
- CAS
5074-25-9- Standard SMILES
Cc1cc2nnn(C(=O)c3ccccc3)c2cc1C- InChIKey
BIWLDPOPZDFCEM-UHFFFAOYSA-N- Molecular formula
- C15H13N3O
- Average molar mass
- 251.28 g/mol
- Monoisotopic mass
- 251.10586205
Names & identifiers
- Preferred name
- (5,6-Dimethyl-1h-benzotriazol-1-yl)(phenyl)methanone
- IUPAC
- (5,6-dimethylbenzotriazol-1-yl)-phenylmethanone
Names & synonyms
(5,6-dimethyl-1h-benzotriazol-1-yl)(phenyl)methanone5074-25-9DTXSID10292479RefChem:209331DTXCID90243621CHEMBL4446986NSC83122BDBM50528898NSC-83122(5,6-Dimethyl-1H-1,2,3-benzotriazol-1-yl)(phenyl)methanone
Database identifiers
- CAS
5074-25-9- PubChem CID
- 256338
- DTXSID
DTXSID10292479- ChEMBL
CHEMBL4446986
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 47.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 340
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Compound notes
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