| CAS Number | 790725-78-9 |
| Catalog Number | AG00ID0A |
| Chemical Name | 2-Chloro-1-(2,3,4,6-tetramethylphenyl)ethan-1-one |
| IUPAC Name | 2-chloro-1-(2,3,4,6-tetramethylphenyl)ethanone |
| InChI | InChI=1S/C12H15ClO/c1-7-5-8(2)12(11(14)6-13)10(4)9(7)3/h5H,6H2,1-4H3 |
| InChI Key | YGGRAYOSPKBKGM-UHFFFAOYSA-N |
| MDL Number | MFCD06360003 |
| Molecular Formula | C12H15ClO |
| Molecular Weight | 210.6999 |
| SMILES | CC1=C(C)C(C)=C(C(CCl)=O)C(C)=C1 |
| Synonyms | 2-chloro-1-(2,3,4,6-tetramethylphenyl)ethan-1-one,
790725-78-9,
2-chloro-1-(2,3,4,6-tetramethylphenyl)ethanone,
AC1Q2HVJ,
AC1M836T,
CTK6H4568,
ZINC3410626,
MFCD06360003,
AKOS008967658,
MCULE-2964901501,
NE18667,
EN300-11178,
ZINC03410626,
CID2529565,
|
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number