| CAS Number | 65248-53-5 |
| Catalog Number | AG01AABL(AGN-PC-0OF5FJ) |
| Chemical Name | 1-(4-Chlorophenyl)-3-methylbutan-2-one |
| IUPAC Name | 1-(4-chlorophenyl)-3-methylbutan-2-one |
| InChI | InChI=1S/C11H13ClO/c1-8(2)11(13)7-9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3 |
| InChI Key | AMBVFARIMNOUMI-UHFFFAOYSA-N |
| MDL Number | MFCD11935569 |
| Molecular Formula | C11H13ClO |
| Molecular Weight | 196.6733 |
| SMILES | CC(C(CC1=CC=C(Cl)C=C1)=O)C |
| Synonyms | 1-(4-chlorophenyl)-3-methylbutan-2-one,
65248-53-5,
3-methyl-1-(4-chlorophenyl)-butan-2-one,
AC1Q1NX1,
SCHEMBL7823277,
ZINC32009429,
AKOS010014464,
MCULE-2326355702,
NE55282,
1-(4-Chlorophenyl)-3-methyl-2-butanone,
EN300-67794,
Z1258943271,
5-amino-4-cyano-2,3-dihydro-1H-benz[e]indene,
|
| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.674g/mol |
| Monoisotopic Mass | 196.065g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number