| CAS Number | 99500-35-3 |
| Catalog Number | AG00IKAP(AGN-PC-001HP9) |
| Chemical Name | Benzoic acid, 2-chloro-4-methyl-, ethyl ester |
| IUPAC Name | ethyl 2-chloro-4-methylbenzoate |
| InChI | InChI=1S/C10H11ClO2/c1-3-13-10(12)8-5-4-7(2)6-9(8)11/h4-6H,3H2,1-2H3 |
| InChI Key | SOAVDJBEPVQOMX-UHFFFAOYSA-N |
| MDL Number | MFCD16250088 |
| Molecular Formula | C10H11ClO2 |
| Molecular Weight | 198.6461 |
| SMILES | O=C(OCC)C1=CC=C(C)C=C1Cl |
| Synonyms | Ethyl 2-chloro-4-methylbenzoate,
99500-35-3,
SCHEMBL9827284,
SOAVDJBEPVQOMX-UHFFFAOYSA-N,
ZINC34301912,
AJ-87875,
Benzoic acid, 2-chloro-4-methyl-, ethyl ester,
|
| 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
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number