| CAS Number | 1187360-62-8 |
| Catalog Number | AG00HEPX(AGN-PC-0WCOGK) |
| Chemical Name | methyl 3-(3-chlorophenyl)-1H-pyrazole-5-carboxylate |
| IUPAC Name | methyl 3-(3-chlorophenyl)-1H-pyrazole-5-carboxylate |
| InChI | InChI=1S/C11H9ClN2O2/c1-16-11(15)10-6-9(13-14-10)7-3-2-4-8(12)5-7/h2-6H,1H3,(H,13,14) |
| InChI Key | CKYXRVBZEALSPS-UHFFFAOYSA-N |
| MDL Number | MFCD12402472 |
| Molecular Formula | C11H9ClN2O2 |
| Molecular Weight | 236.6544 |
| SMILES | COC(=O)c1[nH]nc(c1)c1cccc(c1)Cl |
| Synonyms | methyl 3-(3-chlorophenyl)-1H-pyrazole-5-carboxylate,
1187360-62-8,
methyl 5-(3-chlorophenyl)-1H-pyrazole-3-carboxylate,
methyl 3-(3-chlorophenyl)pyrazole-5-carboxylate,
SCHEMBL644902,
SCHEMBL20600262,
BBL032176,
SBB081524,
STK930298,
ZINC35122043,
AKOS000276368,
AKOS005660048,
MCULE-4454091380,
ST51064242,
VU0613537-1,
L-2893,
methyl 5-(3-chlorophenyl)-2H-pyrazole-3-carboxylate,
F3379-1027,
C11H9ClN2O2,
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| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.655g/mol |
| Monoisotopic Mass | 236.035g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number