Basic information
- CAS
52095-33-7- Standard SMILES
C1=NN=C(c2ccccc2)c2ccccc2C1- InChIKey
WILNOIOLIOTRJX-UHFFFAOYSA-N- Molecular formula
- C15H12N2
- Average molar mass
- 220.27 g/mol
- Monoisotopic mass
- 220.10004839
Names & identifiers
- Preferred name
- 1-Phenyl-5H-2,3-benzodiazepine
- IUPAC
- 1-phenyl-5H-2,3-benzodiazepine
Names & synonyms
1-Phenyl-5H-2,3-benzodiazepine5H-2,3-Benzodiazepine, 1-phenyl-52095-33-7SCHEMBL9540383DTXSID50346566WILNOIOLIOTRJX-UHFFFAOYSA-N1-Phenyl-5H-2,3-benzodiazepine #
Database identifiers
- CAS
52095-33-7- PubChem CID
- 613261
- DTXSID
DTXSID50346566- Nikkaji
- J529.925J
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 24.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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