| CAS Number | 1239717-20-4 |
| Catalog Number | AG00HHG0(AGN-PC-0WBBQJ) |
| Chemical Name | Methyl 3-(2-fluorophenyl)-1H-pyrazole-5-carboxylate |
| IUPAC Name | methyl 3-(2-fluorophenyl)-1H-pyrazole-5-carboxylate |
| InChI | InChI=1S/C11H9FN2O2/c1-16-11(15)10-6-9(13-14-10)7-4-2-3-5-8(7)12/h2-6H,1H3,(H,13,14) |
| InChI Key | FRQUGJQHNHIGBU-UHFFFAOYSA-N |
| MDL Number | MFCD09473559 |
| Molecular Formula | C11H9FN2O2 |
| Molecular Weight | 220.1998 |
| SMILES | COC(C1=NNC(C2=C(F)C=CC=C2)=C1)=O |
| Synonyms | methyl 3-(2-fluorophenyl)-1H-pyrazole-5-carboxylate,
1239717-20-4,
methyl 5-(2-fluorophenyl)-1H-pyrazole-3-carboxylate,
methyl 3-(2-fluorophenyl)pyrazole-5-carboxylate,
ACN-P001034,
MFCD09473559,
SBB024762,
STK351717,
ZINC12395990,
AKOS005167693,
AKOS009548915,
MCULE-3522119826,
AM805848,
CS-0036311,
ST45128170,
methyl 5-(2-fluorophenyl)-2H-pyrazole-3-carboxylate,
F2130-0122,
Z2146515418,
N/A,
|
| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.203g/mol |
| Monoisotopic Mass | 220.065g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number