| CAS Number | 236418-01-2 |
| Catalog Number | AG019X6S(AGN-PC-0JTCSA) |
| Chemical Name | 1-(4-Chlorophenyl)-4-methylpentan-1-one |
| IUPAC Name | 1-(4-chlorophenyl)-4-methylpentan-1-one |
| InChI | InChI=1S/C12H15ClO/c1-9(2)3-8-12(14)10-4-6-11(13)7-5-10/h4-7,9H,3,8H2,1-2H3 |
| InChI Key | MOMILWVUQFINQM-UHFFFAOYSA-N |
| MDL Number | MFCD11105533 |
| Molecular Formula | C12H15ClO |
| Molecular Weight | 210.6999 |
| SMILES | CC(CCC(C1=CC=C(Cl)C=C1)=O)C |
| Synonyms | 1-(4-chlorophenyl)-4-methylpentan-1-one,
236418-01-2,
AC1LBQW8,
AC1Q1PAB,
1-(4-chloro-phenyl)-4-methyl-pentan-1-one,
SCHEMBL7426211,
CTK6A7250,
MOMILWVUQFINQM-UHFFFAOYSA-N,
ZINC32179032,
AKOS009339058,
MCULE-3625173489,
NE23091,
1-Pentanone, 1-(p-chlorophenyl)-4-methyl-,
1-(4-Chlorophenyl)-4-methyl-1-pentanone #,
EN300-54199,
Z818727364,
CID587458,
1-(4-Chlorophenyl)-4-methyl-1-pentanone,
|
| Complexity | 181 |
| 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 | 4 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number