| CAS Number | 192805-96-2 |
| Catalog Number | AG002GC9(AGN-PC-0448O3) |
| Chemical Name | Methyl 2-chloro-4-(trifluoromethyl)benzoate |
| IUPAC Name | methyl 2-chloro-4-(trifluoromethyl)benzoate |
| InChI | InChI=1S/C9H6ClF3O2/c1-15-8(14)6-3-2-5(4-7(6)10)9(11,12)13/h2-4H,1H3 |
| InChI Key | QJZUPDUXEBVQHR-UHFFFAOYSA-N |
| MDL Number | MFCD12923259 |
| Molecular Formula | C9H6ClF3O2 |
| Molecular Weight | 238.5909 |
| SMILES | C1(C=CC(C(F)(F)F)=CC=1Cl)C(=O)OC |
| Synonyms | Methyl 2-chloro-4-(trifluoromethyl)benzoate,
192805-96-2,
Benzoic acid, 2-chloro-4-(trifluoromethyl)-, methyl ester,
SCHEMBL6848053,
CTK0A1579,
DTXSID10634532,
QJZUPDUXEBVQHR-UHFFFAOYSA-N,
AKOS030615579,
methyl 2-chloro-4-trifluoromethylbenzoate,
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| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.59g/mol |
| Monoisotopic Mass | 238.001g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number