| CAS Number | 151733-96-9 |
| Catalog Number | AG00AMCV(AGN-PC-0O4BHQ) |
| Chemical Name | Ethyl 3-(difluoromethyl)-1H-pyrazole-4-carboxylate |
| IUPAC Name | ethyl 5-(difluoromethyl)-1H-pyrazole-4-carboxylate |
| InChI | InChI=1S/C7H8F2N2O2/c1-2-13-7(12)4-3-10-11-5(4)6(8)9/h3,6H,2H2,1H3,(H,10,11) |
| InChI Key | XTHPZTBDQIWSFA-UHFFFAOYSA-N |
| MDL Number | MFCD11045582 |
| Molecular Formula | C7H8F2N2O2 |
| Molecular Weight | 190.1474 |
| SMILES | O=C(C1=CNN=C1C(F)F)OCC |
| Synonyms | ethyl 5-(difluoromethyl)-1H-pyrazole-4-carboxylate,
151733-96-9,
AC1Q33MC,
ethyl 3-(difluoromethyl)-1h-pyrazole-4-carboxylate,
SCHEMBL622895,
SCHEMBL18586420,
XTHPZTBDQIWSFA-UHFFFAOYSA-N,
ZINC57218693,
AKOS012538057,
MCULE-1814888483,
NE32817,
ethyl 3-difluoromethylpyrazole-4-carboxylate,
EN300-69760,
Z1250100637,
3-difluoromethyl-1H-pyrazole-4-carboxylic acid ethyl ester,
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| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.15g/mol |
| Monoisotopic Mass | 190.055g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number