Basic information
- CAS
40478-20-4- Standard SMILES
O=C(NCN(CCCl)CCCl)c1ccc([N+](=O)[O-])cc1- InChIKey
TYVFKLZVXGKKMZ-UHFFFAOYSA-N- Molecular formula
- C12H15Cl2N3O3
- Average molar mass
- 320.17 g/mol
- Monoisotopic mass
- 319.0490467
Names & identifiers
- Preferred name
- Benzamide, N-((bis(2-chloroethyl)amino)methyl)-4-nitro-
- IUPAC
- N-[bis(2-chloroethyl)aminomethyl]-4-nitrobenzamide
Names & synonyms
BRN 2004675Benzamide, N-((bis(2-chloroethyl)amino)methyl)-4-nitro-N-((Bis(2-chloroethyl)amino)methyl)-4-nitrobenzamide40478-20-4N-(Bis(2-chloraethyl)aminomethyl)-4-nitrobenzamid [German]DTXSID00193486N-(Bis(2-chloraethyl)aminomethyl)-4-nitrobenzamidn-{[bis(2-chloroethyl)amino]methyl}-4-nitrobenzamideRefChem:322064DTXCID10115977
Database identifiers
- CAS
40478-20-4- PubChem CID
- 218317
- DTXSID
DTXSID00193486
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 78.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 312
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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