1H-Imidazolium, 1-(2-bromoethyl)-3-(7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-2-methyl-5-nitro-, chloride
Basic information
- CAS
52995-64-9- Standard SMILES
Cc1n(CCBr)c([N+](=O)[O-])c[n+]1C1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O.[Cl-]- InChIKey
HMZKHPQHFVNTPN-UHFFFAOYSA-N- Molecular formula
- C21H18BrCl2N5O3
- Average molar mass
- 539.2 g/mol
- Monoisotopic mass
- 536.99701
Names & identifiers
- Preferred name
- 1H-Imidazolium, 1-(2-bromoethyl)-3-(7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-2-methyl-5-nitro-, chloride
- IUPAC
- 3-[3-(2-bromoethyl)-2-methyl-4-nitroimidazol-1-ium-1-yl]-7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one chloride
Names & synonyms
52995-64-91H-Imidazolium, 1-(2-bromoethyl)-3-(7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-2-methyl-5-nitro-, chlorideRefChem:1058049NSC243424NSC 243424NSC-243424
Database identifiers
- CAS
52995-64-9- PubChem CID
- 3040824
Properties
Computed structural properties
- Topological polar surface area
- 96.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 714
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…