2-(2-(4-Chlorophenyl)-2-oxoethyl)-5-methylcyclohexane-1,3-dione
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Basic information
- CAS
1022859-89-7- Standard SMILES
CC1CC(=O)C(CC(=O)c2ccc(Cl)cc2)C(=O)C1- InChIKey
XWDCYCYFWLPUMV-UHFFFAOYSA-N- Molecular formula
- C15H15ClO3
- Average molar mass
- 278.73 g/mol
- Monoisotopic mass
- 278.070972
Names & identifiers
- Preferred name
- 2-(2-(4-Chlorophenyl)-2-oxoethyl)-5-methylcyclohexane-1,3-dione
- IUPAC
- 2-[2-(4-chlorophenyl)-2-oxoethyl]-5-methylcyclohexane-1,3-dione
- English name
- 2-(2-(4-CHLOROPHENYL)-2-OXOETHYL)-5-METHYLCYCLOHEXANE-1,3-DIONE
- Molecular formula
- C15H15ClO3
- Molecular weight
- 278.73
Names & synonyms
1022859-89-72-(2-(4-CHLOROPHENYL)-2-OXOETHYL)-5-METHYLCYCLOHEXANE-1,3-DIONE2-[2-(4-chlorophenyl)-2-oxoethyl]-5-methylcyclohexane-1,3-dionestarbld0013747XQB859892-[2-(4-chlorophenyl)-2-oxo-ethyl]-5-methyl-cyclohexane-1,3-dioneMFCD02662217AKOS022169971MS-81921,3-Cyclohexanedione, 2-[2-(4-chlorophenyl)-2-oxoethyl]-5-methyl-
Database identifiers
- CAS
1022859-89-7- PubChem CID
- 3327392
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 365
Related reactions
0 records
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Compound notes
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