| CAS Number | 1053081-83-6 |
| Catalog Number | AG01A98B(AGN-PC-0WOB3E) |
| Chemical Name | 1-(2-Aminophenyl)-1H-pyrazole-3-carboxylic acid |
| IUPAC Name | 1-(2-aminophenyl)pyrazole-3-carboxylic acid |
| InChI | InChI=1S/C10H9N3O2/c11-7-3-1-2-4-9(7)13-6-5-8(12-13)10(14)15/h1-6H,11H2,(H,14,15) |
| InChI Key | VMDOKQUNFAZHRI-UHFFFAOYSA-N |
| MDL Number | MFCD09701775 |
| Molecular Formula | C10H9N3O2 |
| Molecular Weight | 203.1974 |
| SMILES | NC1=C(N2N=C(C(O)=O)C=C2)C=CC=C1 |
| Synonyms | 1-(2-aminophenyl)-1H-pyrazole-3-carboxylic acid,
1053081-83-6,
1-(2-aminophenyl)pyrazole-3-carboxylic acid,
AC1Q50V2,
SBB025230,
STK352177,
ZINC12396838,
AKOS005167833,
MCULE-9713474026,
NE40907,
ST45134340,
EN300-64447,
Z1270341027,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.201g/mol |
| Monoisotopic Mass | 203.069g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 81.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number