Basic information
- CAS
39498-67-4- Standard SMILES
O=C(CCl)CCN(CC(=O)CCl)[N+](=O)[O-]- InChIKey
REHIJDHUXKPVLK-UHFFFAOYSA-N- Molecular formula
- C7H10Cl2N2O4
- Average molar mass
- 257.07 g/mol
- Monoisotopic mass
- 256.0017622
Names & identifiers
- Preferred name
- 2-Butanone, 1-chloro-4-(N-(3-chloro-2-oxopropyl)-N-nitroamino)-
- IUPAC
- N-(4-chloro-3-oxobutyl)-N-(3-chloro-2-oxopropyl)nitramide
Names & synonyms
39498-67-42-BUTANONE, 1-CHLORO-4-(N-(3-CHLORO-2-OXOPROPYL)-N-NITROAMINO)-1-Chloro-4-(N-(3-chloro-2-oxopropyl)N-nitroamino)-2-butanoneDTXSID20192638RefChem:257788DTXCID60115129N-(4-chloro-3-oxobutyl)-N-(3-chloro-2-oxopropyl)nitramide
Database identifiers
- CAS
39498-67-4- PubChem CID
- 38281
- DTXSID
DTXSID20192638- Nikkaji
- J65.728J
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 83.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 254
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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