| CAS Number | 1174046-29-7 |
| Catalog Number | AG01DV0W |
| Chemical Name | methyl 4-(chloromethyl)-2-methylbenzoate |
| IUPAC Name | methyl 4-(chloromethyl)-2-methylbenzoate |
| InChI | InChI=1S/C10H11ClO2/c1-7-5-8(6-11)3-4-9(7)10(12)13-2/h3-5H,6H2,1-2H3 |
| InChI Key | GYNLGFRPRGXSQD-UHFFFAOYSA-N |
| MDL Number | MFCD22552903 |
| Molecular Formula | C10H11ClO2 |
| Molecular Weight | 198.6461 |
| SMILES | COC(C1=C(C)C=C(CCl)C=C1)=O |
| Synonyms | methyl 4-(chloromethyl)-2-methylbenzoate,
1174046-29-7,
SCHEMBL7710910,
|
| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.646g/mol |
| Monoisotopic Mass | 198.045g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number