| CAS Number | 1006442-69-8 |
| Catalog Number | AG00JFD9(AGN-PC-0WBBK2) |
| Chemical Name | 1-(2-Nitrophenyl)-1H-pyrazole-3-carboxylic acid |
| IUPAC Name | 1-(2-nitrophenyl)pyrazole-3-carboxylic acid |
| InChI | InChI=1S/C10H7N3O4/c14-10(15)7-5-6-12(11-7)8-3-1-2-4-9(8)13(16)17/h1-6H,(H,14,15) |
| InChI Key | GFVFGZWAGKOYMQ-UHFFFAOYSA-N |
| MDL Number | MFCD08696938 |
| Molecular Formula | C10H7N3O4 |
| Molecular Weight | 233.1803 |
| SMILES | OC(C1=NN(C2=C([N+]([O-])=O)C=CC=C2)C=C1)=O |
| Synonyms | 1-(2-nitrophenyl)-1H-pyrazole-3-carboxylic acid,
1006442-69-8,
1-(2-nitrophenyl)pyrazole-3-carboxylic acid,
CTK5I3935,
SBB024469,
STK351450,
ZINC12395464,
AKOS000315994,
AKOS015922138,
MCULE-7234733583,
NE29266,
BB 0261166,
ST45134703,
EN300-42130,
Z1270403493,
|
| Complexity | 317 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.183g/mol |
| Monoisotopic Mass | 233.044g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number