Basic information
- CAS
79772-43-3- Standard SMILES
Cn1c(=O)n(-c2ccccc2[N+](=O)[O-])c2cc(Cl)ccc21- InChIKey
BGCNGLXKYOZLNK-UHFFFAOYSA-N- Molecular formula
- C14H10ClN3O3
- Average molar mass
- 303.7 g/mol
- Monoisotopic mass
- 303.0410689
Names & identifiers
- Preferred name
- 2H-Benzimidazol-2-one, 1,3-dihydro-5-chloro-1-methyl-3-(2-nitrophenyl)-
- IUPAC
- 5-chloro-1-methyl-3-(2-nitrophenyl)benzimidazol-2-one
Names & synonyms
BRN 56047422H-Benzimidazol-2-one, 1,3-dihydro-5-chloro-1-methyl-3-(2-nitrophenyl)-79772-43-3DTXSID102299071,3-Dihydro-5-chloro-1-methyl-3-(2-nitrophenyl)-2H-benzimidazol-2-oneRefChem:268516DTXCID201523985-Chloro-1-methyl-3-(2-nitrophenyl)-1,3-dihydro-2H-1,3-benzimidazol-2-one
Database identifiers
- CAS
79772-43-3- PubChem CID
- 3061815
- DTXSID
DTXSID10229907
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 442
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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