Basic information
- CAS
40478-15-7- Standard SMILES
O=C(NCN(CCCl)CCCl)c1ccc(Cl)cc1- InChIKey
RRBMCSSSLHSJJU-UHFFFAOYSA-N- Molecular formula
- C12H15Cl3N2O
- Average molar mass
- 309.6 g/mol
- Monoisotopic mass
- 308.024996
Names & identifiers
- Preferred name
- Benzamide, N-((bis(2-chloroethyl)amino)methyl)-4-chloro-
- IUPAC
- N-[bis(2-chloroethyl)aminomethyl]-4-chlorobenzamide
Names & synonyms
BRN 198173340478-15-7Benzamide, N-((bis(2-chloroethyl)amino)methyl)-4-chloro-N-(Bis(2-chloraethyl)aminomethyl)-4-chlorbenzamid [German]N-(Bis(2-chloraethyl)aminomethyl)-4-chlorbenzamidRefChem:322061n-{[bis(2-chloroethyl)amino]methyl}-4-chlorobenzamideN-((Bis(2-chloroethyl)amino)methyl)-4-chlorobenzamideDTXSID60960853
Database identifiers
- CAS
40478-15-7- PubChem CID
- 218312
- DTXSID
DTXSID60960853
Properties
Computed structural properties
- XLogP
- 3.1
- 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
- 239
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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