| CAS Number | 955971-69-4 |
| Catalog Number | AG019K3V |
| Chemical Name | 3-(2-Furyl)-1-phenyl-1h-pyrazole-5-carboxylic acid |
| IUPAC Name | 5-(furan-2-yl)-2-phenylpyrazole-3-carboxylic acid |
| InChI | InChI=1S/C14H10N2O3/c17-14(18)12-9-11(13-7-4-8-19-13)15-16(12)10-5-2-1-3-6-10/h1-9H,(H,17,18) |
| InChI Key | NQQPNNSSTWGYPK-UHFFFAOYSA-N |
| MDL Number | MFCD08444367 |
| Molecular Formula | C14H10N2O3 |
| Molecular Weight | 254.2408 |
| SMILES | OC(C1N(C2=CC=CC=C2)N=C(C2OC=CC=2)C=1)=O |
| Synonyms | 3-(furan-2-yl)-1-phenyl-1H-pyrazole-5-carboxylic acid,
3-(2-furyl)-1-phenyl-1H-pyrazole-5-carboxylic acid,
955971-69-4,
AC1LG0GN,
AC1Q72XO,
CTK7I7222,
ZINC324084,
AKOS001287314,
MCULE-9384496368,
NE21362,
EN300-25428,
5-(furan-2-yl)-2-phenylpyrazole-3-carboxylic acid,
Z210803710,
CID812101,
5-(2-furyl)-2-phenyl-pyrazole-3-carboxylic Acid,
|
| Complexity | 331 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.245g/mol |
| Monoisotopic Mass | 254.069g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number