6-[Bis(2-chloroethyl)amino]chromen-2-one
Basic information
- CAS
10444-40-3- Standard SMILES
O=c1ccc2cc(N(CCCl)CCCl)ccc2o1- InChIKey
FLEKHUGWPMPRHJ-UHFFFAOYSA-N- Molecular formula
- C13H13Cl2NO2
- Average molar mass
- 286.15 g/mol
- Monoisotopic mass
- 285.032334
Names & identifiers
- Preferred name
- 6-[Bis(2-chloroethyl)amino]chromen-2-one
- IUPAC
- 6-[bis(2-chloroethyl)amino]chromen-2-one
Names & synonyms
10444-40-36-[bis(2-chloroethyl)amino]chromen-2-oneNSC370997COUMARIN N-MUSTARDDTXSID00321161CPP3-137-1NSC-3709976-[Bis(2-chloroethyl)amino]-2H-1-benzopyran-2-one
Database identifiers
- CAS
10444-40-3- PubChem CID
- 340423
- DTXSID
DTXSID00321161
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 316
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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