| CAS Number | 681034-80-0 |
| Catalog Number | AG00FH4J(AGN-PC-0BL190) |
| Chemical Name | Ethyl 4-fluoro-5-methyl-1H-pyrazole-3-carboxylate |
| IUPAC Name | ethyl 4-fluoro-5-methyl-1H-pyrazole-3-carboxylate |
| InChI | InChI=1S/C7H9FN2O2/c1-3-12-7(11)6-5(8)4(2)9-10-6/h3H2,1-2H3,(H,9,10) |
| InChI Key | IORLZUSUXYOBTQ-UHFFFAOYSA-N |
| MDL Number | MFCD16619994 |
| Molecular Formula | C7H9FN2O2 |
| Molecular Weight | 172.1570 |
| SMILES | O=C(C1=NNC(C)=C1F)OCC |
| Synonyms | 681034-80-0,
ethyl 4-fluoro-5-methyl-1H-pyrazole-3-carboxylate,
4-fluoro-5-methyl-1H-pyrazole,
SCHEMBL3945902,
DTXSID40719129,
IORLZUSUXYOBTQ-UHFFFAOYSA-N,
ACN-C001121,
4-FLUORO-5-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER,
ZINC72190651,
AKOS025287112,
SC-49316,
ethyl-4-fluoro-5-methylpyrazole-3-carboxylate,
4-FLUORO-5-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID ET,
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| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.159g/mol |
| Monoisotopic Mass | 172.065g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
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