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Basic information
- Standard SMILES
Cn1cc(Cl)c2c1C(=O)Nc1ccccc1N2C(=O)Cl- InChIKey
MBFFQCKXTJKYFD-UHFFFAOYSA-N- Molecular formula
- C13H9Cl2N3O2
- Average molar mass
- 310.13 g/mol
- Monoisotopic mass
- 309.0071819
Names & identifiers
- Preferred name
- 3-Chloro-4-(chlorocarbonyl)-1-methyl-1,4,9,10-tetrahydro-pyrrolo[3,2-b][1,5]benzodiazepin-10-one
- IUPAC
- 1-chloro-3-methyl-4-oxo-5H-pyrrolo[2,3-c][1,5]benzodiazepine-10-carbonyl chloride
Names & synonyms
SCHEMBL9596493MBFFQCKXTJKYFD-UHFFFAOYSA-N3-chloro-4-(chlorocarbonyl)-1-methyl-1,4,9,10-tetrahydro-pyrrolo[3,2-b][1,5]benzodiazepin-10-one
Database identifiers
- PubChem CID
- 15106925
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 54.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 434
Related reactions
2 records
Compound notes
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