Basic information
- CAS
74298-65-0- Standard SMILES
Cc1ccc(C(=O)CCCCl)c(C)c1- InChIKey
JVJAFFIEOZLZBJ-UHFFFAOYSA-N- Molecular formula
- C12H15ClO
- Average molar mass
- 210.7 g/mol
- Monoisotopic mass
- 210.0811428
Names & identifiers
- Preferred name
- 4-Chloro-2',4'-dimethylbutyrophenone
- IUPAC
- 4-chloro-1-(2,4-dimethylphenyl)butan-1-one
- English name
- 4-chloro-2',4'-dimethylbutyrophenone
- Molecular formula
- C12H15ClO
- Molecular weight
- 210.6999
Names & synonyms
74298-65-04-Chloro-2',4'-dimethylbutyrophenoneNSC-1631304-chloro-1-(2,4-dimethylphenyl)butan-1-oneEINECS 277-805-0NSC163130WUY3WA42MP4-CHLORO-1-(2,4-DIMETHYLPHENYL)-1-BUTANONESCHEMBL11259500DTXSID50225307AKOS015155344NSC 163130
Show more names
Butyrophenone, 4-chloro-2',4'-dimethyl-NS000376101-Chloro-4-(2,4-dimethylphenyl)-4-butanone1-Butanone, 4-chloro-1-(2,4-dimethylphenyl)-
Database identifiers
- CAS
74298-65-0- PubChem CID
- 98740
- DTXSID
DTXSID50225307- UNII
- WUY3WA42MP
- EC Number
- 277-805-0
- Nikkaji
- J318.948A
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
Physicochemical properties
- FDA UNII
- 3 WA42MP · WUY3WA42MP
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
2 records
Compound notes
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