4,7-bis(chloromethyl)-1-methyl-2(1H)-quinolinone
Basic information
- CAS
887584-92-1- Standard SMILES
Cn1c(=O)cc(CCl)c2ccc(CCl)cc21- InChIKey
BNUXYAHJOUSQKZ-UHFFFAOYSA-N- Molecular formula
- C12H11Cl2NO
- Average molar mass
- 256.12 g/mol
- Monoisotopic mass
- 255.0217694
Names & identifiers
- Preferred name
- 4,7-bis(chloromethyl)-1-methyl-2(1H)-quinolinone
- IUPAC
- 4,7-bis(chloromethyl)-1-methylquinolin-2-one
- English name
- 4,7-Bis(chloromethyl)-1-methyl-2(1H)-quinolinone
- Molecular formula
- C12H11Cl2NO
- Molecular weight
- 256.13
Names & synonyms
4,7-bis(chloromethyl)-1-methyl-2(1H)-quinolinone887584-92-14,7-bis(chloromethyl)-1-methylquinolin-2-one4,7-Bis(chloromethyl)-1-methylquinolin-2(1H)-oneDTXSID301237322SBB101682AP-402/418849184,7-bis(chloromethyl)-1-methylhydroquinolin-2-one
Database identifiers
- CAS
887584-92-1- PubChem CID
- 820602
- DTXSID
DTXSID301237322
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 316
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Compound notes
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