3-Chloro-4-(3-chlorophenyl)-2-butanone

HCID 4250985
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Basic information

Standard SMILES
CC(=O)C(Cl)Cc1cccc(Cl)c1
InChIKey
DSQMQTAIPYXOIB-UHFFFAOYSA-N
Molecular formula
C10H10Cl2O
Average molar mass
217.09 g/mol
Monoisotopic mass
216.0108703

Names & identifiers

Preferred name
3-Chloro-4-(3-chlorophenyl)-2-butanone
IUPAC
3-chloro-4-(3-chlorophenyl)butan-2-one

Names & synonyms

3-chloro-4-(3-chlorophenyl)-2-butanoneSCHEMBL1041082DSQMQTAIPYXOIB-UHFFFAOYSA-NAKOS022278815

Database identifiers

PubChem CID
4250985

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
3
Heavy atoms
13

Related reactions

3 records
New reaction record

Compound notes

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