| CAS Number | 182415-28-7 |
| Catalog Number | AG01AQDC |
| Chemical Name | 4-bromo-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid |
| IUPAC Name | 4-bromo-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid |
| InChI | InChI=1S/C11H9BrN2O3/c1-17-7-4-2-6(3-5-7)9-8(12)10(11(15)16)14-13-9/h2-5H,1H3,(H,13,14)(H,15,16) |
| InChI Key | FDRWGMORGBCDFM-UHFFFAOYSA-N |
| MDL Number | MFCD16652809 |
| Molecular Formula | C11H9BrN2O3 |
| Molecular Weight | 297.1048 |
| SMILES | COC1=CC=C(C2C(Br)=C(C(O)=O)NN=2)C=C1 |
| Synonyms | 4-bromo-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid,
182415-28-7,
BBL032703,
STL146812,
ZINC38478441,
AKOS005747128,
AKOS023485050,
MCULE-8985252432,
F2130-0139,
4-bromo-5-(4-methoxyphenyl)-2H-pyrazole-3-carboxylic acid,
|
| Complexity | 282 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 295.98g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 297.108g/mol |
| Monoisotopic Mass | 295.98g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 75.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number