Basic information
- CAS
71526-84-6- Standard SMILES
Cc1ccc(C)c(C(=O)CCCCl)c1- InChIKey
RLXPXHOSBRQERJ-UHFFFAOYSA-N- Molecular formula
- C12H15ClO
- Average molar mass
- 210.7 g/mol
- Monoisotopic mass
- 210.0811428
Names & identifiers
- Preferred name
- 4-Chloro-2',5'-dimethylbutyrophenone
- IUPAC
- 4-chloro-1-(2,5-dimethylphenyl)butan-1-one
- English name
- 4-chloro-2',5'-dimethylbutyrophenone
- Molecular formula
- C12H15ClO
- Molecular weight
- 210.6999
Names & synonyms
71526-84-64-Chloro-2',5'-dimethylbutyrophenone4-chloro-1-(2,5-dimethylphenyl)butan-1-oneEINECS 275-598-1NSC163131DTXSID50221768RLXPXHOSBRQERJ-UHFFFAOYSA-NAKOS015155343NSC 163131NSC-163131NS000372414-Chloro-1-(2,5-dimethylphenyl)-1-butanone
Database identifiers
- CAS
71526-84-6- PubChem CID
- 98741
- DTXSID
DTXSID50221768- EC Number
- 275-598-1
- Nikkaji
- J289.199I
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 191
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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