| CAS Number | 571155-28-7 |
| Catalog Number | AG00F2LS(AGN-PC-0KGBVS) |
| Chemical Name | 2-Chloro-1-(2,4,5-trimethylphenyl)propan-1-one |
| IUPAC Name | 2-chloro-1-(2,4,5-trimethylphenyl)propan-1-one |
| InChI | InChI=1S/C12H15ClO/c1-7-5-9(3)11(6-8(7)2)12(14)10(4)13/h5-6,10H,1-4H3 |
| InChI Key | OSAHTYSEKMOORS-UHFFFAOYSA-N |
| MDL Number | MFCD03987972 |
| Molecular Formula | C12H15ClO |
| Molecular Weight | 210.6999 |
| SMILES | CC(C(C1=C(C)C=C(C)C(C)=C1)=O)Cl |
| Synonyms | 2-chloro-1-(2,4,5-trimethylphenyl)propan-1-one,
571155-28-7,
2-Chloro-1-(2,4,5-trimethyl-phenyl)-propan-1-one,
AC1MVKP6,
AC1Q1R3B,
CTK6A2921,
1-Propanone, 2-chloro-1-(2,4,5-trimethylphenyl)- (9CI),
AKOS001053037,
NE12778,
EN300-05764,
ZINC03316829,
CID3684770,
|
| Complexity | 214 |
| 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 | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number