| CAS Number | 1261606-72-7 |
| Catalog Number | AG000RVD(AGN-PC-0WD55G) |
| Chemical Name | Ethyl 2-chloro-3-methylbenzoate |
| IUPAC Name | ethyl 2-chloro-3-methylbenzoate |
| InChI | InChI=1S/C10H11ClO2/c1-3-13-10(12)8-6-4-5-7(2)9(8)11/h4-6H,3H2,1-2H3 |
| InChI Key | MJPALPLZFRWQEN-UHFFFAOYSA-N |
| MDL Number | MFCD16250087 |
| Molecular Formula | C10H11ClO2 |
| Molecular Weight | 198.6461 |
| SMILES | O=C(OCC)C1=CC=CC(C)=C1Cl |
| Synonyms | Ethyl 2-chloro-3-methylbenzoate,
1261606-72-7,
SCHEMBL3699729,
MJPALPLZFRWQEN-UHFFFAOYSA-N,
ZINC95916013,
AKOS017515675,
CS-13176,
AJ-135348,
Benzoic acid, 2-chloro-3-methyl-, ethyl ester,
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| 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
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Certificate of Analysis
Lot Number