| CAS Number | 19532-41-3 |
| Catalog Number | AG01ALVG |
| Chemical Name | 1-(4-Bromophenyl)-1H-pyrazole-3-carboxylic acid |
| IUPAC Name | 1-(4-bromophenyl)pyrazole-3-carboxylic acid |
| InChI | InChI=1S/C10H7BrN2O2/c11-7-1-3-8(4-2-7)13-6-5-9(12-13)10(14)15/h1-6H,(H,14,15) |
| InChI Key | MTGXPAMGZOPOBW-UHFFFAOYSA-N |
| MDL Number | MFCD10694351 |
| Molecular Formula | C10H7BrN2O2 |
| Molecular Weight | 267.0788 |
| SMILES | O=C(C1=NN(C2=CC=C(Br)C=C2)C=C1)O |
| Synonyms | 1-(4-bromophenyl)-1H-pyrazole-3-carboxylic acid,
19532-41-3,
ZINC34957732,
AKOS005204839,
Z2211231611,
|
| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.082g/mol |
| Monoisotopic Mass | 265.969g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number