Basic information
- CAS
61981-98-4- Standard SMILES
Cn1cnc([N+](=O)[O-])c1C(=O)N(CCCl)CCCl- InChIKey
IKROBQAQTVEOQA-UHFFFAOYSA-N- Molecular formula
- C9H12Cl2N4O3
- Average molar mass
- 295.12 g/mol
- Monoisotopic mass
- 294.0286456
Names & identifiers
- Preferred name
- 1H-Imidazole-5-carboxamide, N,N-bis(2-chloroethyl)-1-methyl-4-nitro-
- IUPAC
- N,N-bis(2-chloroethyl)-3-methyl-5-nitroimidazole-4-carboxamide
Names & synonyms
BRN 068035561981-98-4N,N-Bis(2-chloroethyl)-1-methyl-4-nitro-1H-imidazole-5-carboxamide1H-Imidazole-5-carboxamide, N,N-bis(2-chloroethyl)-1-methyl-4-nitro-DTXSID70211005RefChem:238268DTXCID30133496
Database identifiers
- CAS
61981-98-4- PubChem CID
- 3046321
- DTXSID
DTXSID70211005
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 84 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 307
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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