Basic information
- CAS
22422-23-7- Standard SMILES
Cc1ccc(C(=O)CCCl)cc1C- InChIKey
AAMJJOHELLBHKA-UHFFFAOYSA-N- Molecular formula
- C11H13ClO
- Average molar mass
- 196.67 g/mol
- Monoisotopic mass
- 196.0654927
Names & identifiers
- Preferred name
- 3-Chloro-1-(3,4-dimethylphenyl)propan-1-one
- IUPAC
- 3-chloro-1-(3,4-dimethylphenyl)propan-1-one
- English name
- 3-chloro-1-(3,4-dimethylphenyl)propan-1-one
- Molecular formula
- C11H13ClO
- Molecular weight
- 196.67
Names & synonyms
22422-23-73-chloro-1-(3,4-dimethylphenyl)propan-1-one1-Propanone,3-chloro-1-(3,4-dimethylphenyl)-NSC530663-Chloro-1-(3,4-dimethylphenyl)-1-propanoneSCHEMBL21852336SCHEMBL29816406DTXSID40287873MFCD11901846NSC-53066SY394569DB-228571
Show more names
1-Propanone, 3-chloro-1-(3,4-dimethylphenyl)-
Database identifiers
- CAS
22422-23-7- PubChem CID
- 243370
- DTXSID
DTXSID40287873
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 179
Physicochemical properties
- Melting point
- 72 · 72-72.5 °C
- Boiling point
- 315.8 · 315.8±30.0 °C(Predicted)
- Density
- 1.084 · 1.084±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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