| CAS Number | 1867157-17-2 |
| Catalog Number | AG019Z6T |
| Chemical Name | 4-Chloro-3-cyclopropyl-1H-pyrazole-5-carboxylic acid |
| IUPAC Name | 4-chloro-5-cyclopropyl-1H-pyrazole-3-carboxylic acid |
| InChI | InChI=1S/C7H7ClN2O2/c8-4-5(3-1-2-3)9-10-6(4)7(11)12/h3H,1-2H2,(H,9,10)(H,11,12) |
| InChI Key | NEZDRXPJTCMNCA-UHFFFAOYSA-N |
| MDL Number | MFCD17193935 |
| Molecular Formula | C7H7ClN2O2 |
| Molecular Weight | 186.5957 |
| SMILES | O=C(C1=C(Cl)C(C2CC2)=NN1)O |
| Synonyms | 4-chloro-3-cyclopropyl-1H-pyrazole-5-carboxylic acid,
1291275-83-6,
4-chloro-5-cyclopropyl-1H-pyrazole-3-carboxylic acid,
1867157-17-2,
1H-Pyrazole-3-carboxylicacid,4-chloro-5-cyclopropyl-,
SCHEMBL1977327,
NEZDRXPJTCMNCA-UHFFFAOYSA-N,
ZINC44242604,
AKOS011068520,
AKOS016909192,
MCULE-1827782399,
NE49510,
4-chloro-5-cyclopropyl-2H-pyrazole-3-carboxylic acid,
1H-Pyrazole-3-carboxylic acid, 4-chloro-5-cyclopropyl-,
Z1381260620,
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.595g/mol |
| Monoisotopic Mass | 186.02g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number