| CAS Number | 1135055-11-6 |
| Catalog Number | AG019LZA |
| Chemical Name | 1-(3-chloro-4-methylphenyl)-5-cyclopropyl-1H-pyrazole-4-carboxylic acid |
| IUPAC Name | 1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carboxylic acid |
| InChI | InChI=1S/C14H13ClN2O2/c1-8-2-5-10(6-12(8)15)17-13(9-3-4-9)11(7-16-17)14(18)19/h2,5-7,9H,3-4H2,1H3,(H,18,19) |
| InChI Key | VEBLWIVUTDZTBI-UHFFFAOYSA-N |
| MDL Number | MFCD09971652 |
| Molecular Formula | C14H13ClN2O2 |
| Molecular Weight | 276.7182 |
| SMILES | CC1=C(Cl)C=C(N2C(C3CC3)=C(C(O)=O)C=N2)C=C1 |
| Synonyms | 1-(3-chloro-4-methylphenyl)-5-cyclopropyl-1H-pyrazole-4-carboxylic acid,
1135055-11-6,
AC1Q2F4I,
CTK7J0648,
ZINC12879780,
AKOS009185735,
MCULE-9505502129,
NE34756,
EN300-33444,
Z359419752,
|
| Complexity | 361 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.72g/mol |
| Monoisotopic Mass | 276.067g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number