| CAS Number | 1153041-33-8 |
| Catalog Number | AG01DSVN(AGN-PC-06OFDU) |
| Chemical Name | 1-(2-bromophenyl)-1H-pyrazole-4-carboxylic acid |
| IUPAC Name | 1-(2-bromophenyl)pyrazole-4-carboxylic acid |
| InChI | InChI=1S/C10H7BrN2O2/c11-8-3-1-2-4-9(8)13-6-7(5-12-13)10(14)15/h1-6H,(H,14,15) |
| InChI Key | JAFLYIMZWMOINI-UHFFFAOYSA-N |
| MDL Number | MFCD12134496 |
| Molecular Formula | C10H7BrN2O2 |
| Molecular Weight | 267.0788 |
| SMILES | OC(C1=CN(C2=C(Br)C=CC=C2)N=C1)=O |
| Synonyms | 1-(2-BROMOPHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID,
1153041-33-8,
AKOS009564736,
|
| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.96909g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.08g/mol |
| Monoisotopic Mass | 265.96909g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number