| CAS Number | 60851-32-3 |
| Catalog Number | AG00ECRN(AGN-PC-001P0M) |
| Chemical Name | 4'-Chloro-3,3-dimethylbutyrophenone |
| IUPAC Name | 1-(4-chlorophenyl)-3,3-dimethylbutan-1-one |
| InChI | InChI=1S/C12H15ClO/c1-12(2,3)8-11(14)9-4-6-10(13)7-5-9/h4-7H,8H2,1-3H3 |
| InChI Key | USBFSVPPZZVYBP-UHFFFAOYSA-N |
| MDL Number | MFCD03841091 |
| Molecular Formula | C12H15ClO |
| Molecular Weight | 210.6999 |
| SMILES | CC(CC(C1=CC=C(Cl)C=C1)=O)(C)C |
| Synonyms | 4'-CHLORO-3,3-DIMETHYLBUTYROPHENONE,
60851-32-3,
1-(4-chlorophenyl)-3,3-dimethylbutan-1-one,
SCHEMBL10452926,
CTK5B2353,
DTXSID90561039,
USBFSVPPZZVYBP-UHFFFAOYSA-N,
4-(neopentylcarbonyl)-chlorobenzene,
ZINC2514149,
6599AE,
MFCD03841091,
AKOS009339221,
MCULE-8288494756,
NE18347,
EN300-83897,
Z1251171297,
C12H15ClO,
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| Complexity | 197 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.701g/mol |
| Monoisotopic Mass | 210.081g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number