| CAS Number | 1154198-40-9 |
| Catalog Number | AG01A81C(AGN-PC-0WO0CC) |
| Chemical Name | 1-(2-chlorophenyl)-1H-pyrazole-4-carboxylic acid |
| IUPAC Name | 1-(2-chlorophenyl)pyrazole-4-carboxylic acid |
| InChI | InChI=1S/C10H7ClN2O2/c11-8-3-1-2-4-9(8)13-6-7(5-12-13)10(14)15/h1-6H,(H,14,15) |
| InChI Key | OUBSTFOBVYTGNO-UHFFFAOYSA-N |
| MDL Number | MFCD12168893 |
| Molecular Formula | C10H7ClN2O2 |
| Molecular Weight | 222.6278 |
| SMILES | OC(C1=CN(C2=C(Cl)C=CC=C2)N=C1)=O |
| Synonyms | 1-(2-chlorophenyl)-1H-pyrazole-4-carboxylic acid,
1154198-40-9,
AC1Q73XG,
SCHEMBL2861126,
CTK6H3396,
ZINC37295141,
AKOS008130563,
MCULE-5367908342,
NE46092,
EN300-60441,
Z1172068243,
|
| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.628g/mol |
| Monoisotopic Mass | 222.02g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number