Basic information
- CAS
40478-18-0- Standard SMILES
O=C(NCN(CCCl)CCCl)c1ccc(Br)cc1- InChIKey
BTKLHPDEWLYURB-UHFFFAOYSA-N- Molecular formula
- C12H15BrCl2N2O
- Average molar mass
- 354.07 g/mol
- Monoisotopic mass
- 351.97448
Names & identifiers
- Preferred name
- Benzamide, N-((bis(2-chloroethyl)amino)methyl)-4-bromo-
- IUPAC
- N-[bis(2-chloroethyl)aminomethyl]-4-bromobenzamide
Names & synonyms
BRN 1982124Benzamide, N-((bis(2-chloroethyl)amino)methyl)-4-bromo-N-((Bis(2-chloroethyl)amino)methyl)-4-bromobenzamide40478-18-0N-(Bis(2-chloraethyl)aminomethyl)-4-brombenzamid [German]DTXSID80193484N-(Bis(2-chloraethyl)aminomethyl)-4-brombenzamidn-{[bis(2-chloroethyl)amino]methyl}-4-bromobenzamideRefChem:322060DTXCID90115975
Database identifiers
- CAS
40478-18-0- PubChem CID
- 218315
- DTXSID
DTXSID80193484
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 242
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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