| CAS Number | 1187339-06-5 |
| Catalog Number | AG01A3T4 |
| Chemical Name | Methyl 3-(2-chlorophenyl)-1H-pyrazole-5-carboxylate |
| IUPAC Name | methyl 3-(2-chlorophenyl)-1H-pyrazole-5-carboxylate |
| InChI | InChI=1S/C11H9ClN2O2/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 | WYXZSFZLTLCERD-UHFFFAOYSA-N |
| MDL Number | MFCD19691767 |
| Molecular Formula | C11H9ClN2O2 |
| Molecular Weight | 236.6544 |
| SMILES | COC(C1=NNC(C2=C(Cl)C=CC=C2)=C1)=O |
| Synonyms | methyl 3-(2-chlorophenyl)-1H-pyrazole-5-carboxylate,
1187339-06-5,
SCHEMBL2631727,
WYXZSFZLTLCERD-UHFFFAOYSA-N,
BBL033077,
SBB081852,
STL232995,
ZINC35234449,
AKOS004896977,
AKOS009289937,
MCULE-1535585704,
NE32707,
methyl 3-(2-chlorophenyl)pyrazole-5-carboxylate,
methyl 5-(2-chlorophenyl)-1H-pyrazole-3-carboxylate,
methyl 5-(2-chlorophenyl)-2H-pyrazole-3-carboxylate,
C11H9ClN2O2,
|
| 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
Certificate of Analysis
Lot Number