Basic information
- CAS
90637-02-8- Standard SMILES
COC(=O)Nc1nc2ccccc2[nH]1.O=[N+]([O-])C(Br)(CO)CO- InChIKey
NGUCNCSFOGXRAS-UHFFFAOYSA-N- Molecular formula
- C12H15BrN4O6
- Average molar mass
- 391.17 g/mol
- Monoisotopic mass
- 390.0175
Names & identifiers
- Preferred name
- methyl 1H-benzimidazol-2-ylcarbamate-2-bromo-2-nitropropane-1,3-diol (1:1)
- IUPAC
- 2-bromo-2-nitropropane-1,3-diol;methyl N-(1H-benzimidazol-2-yl)carbamate
Names & synonyms
90637-02-8FalisolanBronopol / carbendazimDTXSID00238225methyl 1H-benzimidazol-2-ylcarbamate - 2-bromo-2-nitropropane-1,3-diol (1:1)Carbamic acid, 1H-benzimidazol-2-yl-, methyl ester, mixt. with 2-bromo-2-nitro-1,3- propanediolMethyl 1H-1,3-benzimidazol-2-ylcarbamate--2-bromo-2-nitropropane-1,3-diol (1/1)
Database identifiers
- CAS
90637-02-8- PubChem CID
- 185033
- DTXSID
DTXSID00238225
Properties
Computed structural properties
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 329
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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