2-(2,4-Dichlorobenzoyl)-4,4-dimethylcyclohexane-1,3-dione

HCID 14749575
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Basic information

CAS
98011-91-7
Standard SMILES
CC1(C)CCC(=O)C(C(=O)c2ccc(Cl)cc2Cl)C1=O
InChIKey
XRRLQHMGTNWTPA-UHFFFAOYSA-N
Molecular formula
C15H14Cl2O3
Average molar mass
313.2 g/mol
Monoisotopic mass
312.0319997

Names & identifiers

Preferred name
2-(2,4-Dichlorobenzoyl)-4,4-dimethylcyclohexane-1,3-dione
IUPAC
2-(2,4-dichlorobenzoyl)-4,4-dimethylcyclohexane-1,3-dione

Names & synonyms

2-(2,4-Dichlorobenzoyl)-4,4-dimethylcyclohexane-1,3-dione98011-91-7SCHEMBL7350816DTXSID70563612XRRLQHMGTNWTPA-UHFFFAOYSA-N4,4-Dimethyl-2-(2,4-dichlorobenzoyl)-cyclohexane-1,3-dione

Database identifiers

CAS
98011-91-7
PubChem CID
14749575
DTXSID
DTXSID70563612
Nikkaji
J1.181.249J

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
51.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
20

Related reactions

8 records
New reaction record

Compound notes

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