| CAS Number | 220462-24-8 |
| Catalog Number | AG019UXH(AGN-PC-03R53X) |
| Chemical Name | 4-(4-Methyl-1H-pyrazol-1-yl)benzoic acid |
| IUPAC Name | 4-(4-methylpyrazol-1-yl)benzoic acid |
| InChI | InChI=1S/C11H10N2O2/c1-8-6-12-13(7-8)10-4-2-9(3-5-10)11(14)15/h2-7H,1H3,(H,14,15) |
| InChI Key | UVCLOJFIHCHOLB-UHFFFAOYSA-N |
| MDL Number | MFCD11858017 |
| Molecular Formula | C11H10N2O2 |
| Molecular Weight | 202.2093 |
| SMILES | O=C(O)C1=CC=C(N2N=CC(C)=C2)C=C1 |
| Synonyms | 4-(4-methyl-1H-pyrazol-1-yl)benzoic acid,
220462-24-8,
AC1Q2OFN,
SCHEMBL6624522,
CTK7I8008,
UVCLOJFIHCHOLB-UHFFFAOYSA-N,
ZINC32625191,
AKOS009603929,
4-(4-methylpyrazol-1-yl)benzoic acid,
MCULE-6620429735,
NE33242,
EN300-43138,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.213g/mol |
| Monoisotopic Mass | 202.074g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number