| CAS Number | 1038915-04-6 |
| Catalog Number | AG009M8L(AGN-PC-0WBQ53) |
| Chemical Name | 3-(2-Bromophenyl)-1(h)-pyrazole-5-carboxylic acid |
| IUPAC Name | 3-(2-bromophenyl)-1H-pyrazole-5-carboxylic acid |
| InChI | InChI=1S/C10H7BrN2O2/c11-7-4-2-1-3-6(7)8-5-9(10(14)15)13-12-8/h1-5H,(H,12,13)(H,14,15) |
| InChI Key | SRHSBISDUVBMMD-UHFFFAOYSA-N |
| MDL Number | MFCD09749425 |
| Molecular Formula | C10H7BrN2O2 |
| Molecular Weight | 267.0788 |
| SMILES | OC(C1NN=C(C2=C(Br)C=CC=C2)C=1)=O |
| Synonyms | 1038915-04-6,
3-(2-bromophenyl)-1H-pyrazole-5-carboxylic acid,
5-(2-bromophenyl)-1H-pyrazole-3-carboxylic acid,
3-(2-bromophenyl)-1{H}-pyrazole-5-carboxylic acid,
AC1N9YEG,
5-(2-bromophenyl)-2H-pyrazole-3-carboxylic Acid,
ZINC6849553,
BBL036862,
SBB081403,
STL410766,
AKOS000276464,
AKOS013917401,
MCULE-1068790520,
3-(2-bromophenyl)pyrazole-5-carboxylic acid,
L-3178,
F1967-0141,
CID4393209,
|
| Complexity | 250 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.082g/mol |
| Monoisotopic Mass | 265.969g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number