| CAS Number | 1146222-41-4 |
| Catalog Number | AG01E8FH |
| Chemical Name | 5-(4-chlorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid |
| IUPAC Name | 3-(4-chlorophenyl)-4-methyl-1H-pyrazole-5-carboxylic acid |
| InChI | InChI=1S/C11H9ClN2O2/c1-6-9(13-14-10(6)11(15)16)7-2-4-8(12)5-3-7/h2-5H,1H3,(H,13,14)(H,15,16) |
| InChI Key | VUWBFEYSOONJRC-UHFFFAOYSA-N |
| MDL Number | MFCD13248840 |
| Molecular Formula | C11H9ClN2O2 |
| Molecular Weight | 236.6544 |
| SMILES | CC1=C(C2=CC=C(Cl)C=C2)NN=C1C(O)=O |
| Synonyms | 5-(4-chlorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid,
1146222-41-4,
3-(4-chlorophenyl)-4-methyl-1H-pyrazole-5-carboxylic acid,
SCHEMBL16197762,
BBL032385,
MFCD11656479,
SBB079661,
STK938927,
ZINC38478097,
AKOS005668218,
AKOS015938991,
MCULE-4955594109,
NE49718,
3-(4-chlorophenyl)-4-methylpyrazole-5-carboxylic acid,
F2130-0098,
Z1431321923,
1H-Pyrazole-3-carboxylic acid,5-(4-chlorophenyl)-4-methyl-,
5-(4-chlorophenyl)-4-methyl-2H-pyrazole-3-carboxylic acid,
|
| Complexity | 267 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.655g/mol |
| Monoisotopic Mass | 236.035g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number