Basic information
- CAS
25053-12-7- Standard SMILES
O=C(NCN(CCCl)CCCl)c1cccc([N+](=O)[O-])c1- InChIKey
FOORLMPKLAVLTO-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)-3-nitro-
- IUPAC
- N-[bis(2-chloroethyl)aminomethyl]-3-nitrobenzamide
Names & synonyms
40478-21-5Benzamide, N-((bis(2-chloroethyl)amino)methyl)-3-nitro-RefChem:1078024BRN 2002123N-((Bis(2-chloroethyl)amino)methyl)-3-nitrobenzamideDTXSID80947909N-(Bis(2-chloraethyl)aminomethyl)-3-nitrobenzamid [German]NS00128817N-(Bis(2-chloraethyl)aminomethyl)-3-nitrobenzamidN-{[Bis(2-chloroethyl)amino]methyl}-3-nitrobenzene-1-carboximidic acid
Database identifiers
- CAS
25053-12-7、40478-21-5- PubChem CID
- 218318
- DTXSID
DTXSID80947909
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
- 320
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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