| CAS Number | 1566267-54-6 |
| Catalog Number | AG01B7F2 |
| Chemical Name | 5-iodo-1-phenyl-1H-pyrazole-4-carboxylic acid |
| IUPAC Name | 5-iodo-1-phenylpyrazole-4-carboxylic acid |
| InChI | InChI=1S/C10H7IN2O2/c11-9-8(10(14)15)6-12-13(9)7-4-2-1-3-5-7/h1-6H,(H,14,15) |
| InChI Key | GGODEEOENNCYTE-UHFFFAOYSA-N |
| MDL Number | MFCD26813940 |
| Molecular Formula | C10H7IN2O2 |
| Molecular Weight | 314.0793 |
| SMILES | OC(C1=C(I)N(C2=CC=CC=C2)N=C1)=O |
| Synonyms | 5-iodo-1-phenyl-1H-pyrazole-4-carboxylic acid,
1566267-54-6,
ZINC162117109,
|
| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 313.955g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 314.082g/mol |
| Monoisotopic Mass | 313.955g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number