| CAS Number | 1172017-52-5 |
| Catalog Number | AG00HDW0(AGN-PC-0WCVPL) |
| Chemical Name | 1-(2-FLuorophenyl)-5-(1h-pyrrol-1-yl)-1h-pyrazole-4-carboxylic acid |
| IUPAC Name | 1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxylic acid |
| InChI | InChI=1S/C14H10FN3O2/c15-11-5-1-2-6-12(11)18-13(17-7-3-4-8-17)10(9-16-18)14(19)20/h1-9H,(H,19,20) |
| InChI Key | GWJWVCUSKWCSTQ-UHFFFAOYSA-N |
| MDL Number | MFCD09971370 |
| Molecular Formula | C14H10FN3O2 |
| Molecular Weight | 271.2465 |
| SMILES | OC(C1=C(N2C=CC=C2)N(C2=C(F)C=CC=C2)N=C1)=O |
| Synonyms | 1-(2-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxylic acid,
1172017-52-5,
AC1Q72E8,
CTK7C2536,
ALBB-028554,
BBL031662,
MFCD09971370,
STK931364,
ZINC20281820,
AKOS005660982,
MCULE-5484107101,
NE34914,
EN300-30907,
Z324553070,
1H-pyrazole-4-carboxylic acid, 1-(2-fluorophenyl)-5-(1H-pyrrol-1-yl)-,
1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxylic acid,
|
| Complexity | 362 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.251g/mol |
| Monoisotopic Mass | 271.076g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 60A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number