Basic information
- CAS
63931-68-0- Standard SMILES
CN1C=NNc2ccc(Cl)cc2C1=O- InChIKey
KWNOMDPHYHUDFS-UHFFFAOYSA-N- Molecular formula
- C9H8ClN3O
- Average molar mass
- 209.63 g/mol
- Monoisotopic mass
- 209.0355896
Names & identifiers
- Preferred name
- 5H-1,2,4-Benzotriazepin-5-one, 1,4-dihydro-7-chloro-4-methyl-
- IUPAC
- 7-chloro-4-methyl-1H-1,2,4-benzotriazepin-5-one
Names & synonyms
63931-68-05H-1,2,4-Benzotriazepin-5-one, 1,4-dihydro-7-chloro-4-methyl-BRN 05173807-chloro-4-methyl-1,4-dihydro-5h-1,2,4-benzotriazepin-5-oneNSC3074971,4-Dihydro-7-chloro-4-methyl-5H-1,2,4-benzotriazepin-5-oneDTXSID60213735NSC 307497NSC-307497DS-0016525H-1,2,4-BENZOTRIAZEPIN-5-ONE,7-CHLORO-1,4-DIHYDRO-4-METHYL-
Database identifiers
- CAS
63931-68-0- PubChem CID
- 100486
- DTXSID
DTXSID60213735
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 44.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 269
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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