| CAS Number | 64747-71-3 |
| Catalog Number | AG01FERS(AGN-PC-03AU2R) |
| Chemical Name | Ethyl 4-(Difluoromethyl)benzoate |
| IUPAC Name | ethyl 4-(difluoromethyl)benzoate |
| InChI | InChI=1S/C10H10F2O2/c1-2-14-10(13)8-5-3-7(4-6-8)9(11)12/h3-6,9H,2H2,1H3 |
| InChI Key | WISBDSSXPQJMIG-UHFFFAOYSA-N |
| MDL Number | MFCD09996892 |
| Molecular Formula | C10H10F2O2 |
| Molecular Weight | 200.182 |
| SMILES | O=C(OCC)C1=CC=C(C(F)F)C=C1 |
| Synonyms | Ethyl 4-(Difluoromethyl)benzoate,
64747-71-3,
ethyl-4-(difluoromethyl)benzoate,
SCHEMBL11695037,
CTK6F6292,
Ethyl-4-(difluoromethyl) benzoate,
MFCD09996892,
ZINC31829495,
AKOS006238143,
4-(Difluoromethyl)benzoic acid ethyl ester,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.185g/mol |
| Monoisotopic Mass | 200.065g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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Certificate of Analysis
Lot Number