| CAS Number | 1156994-32-9 |
| Catalog Number | AG01ABCX(AGN-PC-0WO8LF) |
| Chemical Name | 1-(3-Bromophenyl)-1H-pyrazole-4-carboxylic acid |
| IUPAC Name | 1-(3-bromophenyl)pyrazole-4-carboxylic acid |
| InChI | InChI=1S/C10H7BrN2O2/c11-8-2-1-3-9(4-8)13-6-7(5-12-13)10(14)15/h1-6H,(H,14,15) |
| InChI Key | WTXNQMTYPOFZQC-UHFFFAOYSA-N |
| MDL Number | MFCD12134476 |
| Molecular Formula | C10H7BrN2O2 |
| Molecular Weight | 267.0788 |
| SMILES | O=C(C1=CN(C2=CC=CC(Br)=C2)N=C1)O |
| Synonyms | 1-(3-bromophenyl)-1H-pyrazole-4-carboxylic acid,
1156994-32-9,
AC1Q73XI,
ZINC35778611,
AKOS009564711,
MCULE-9232750728,
NE27433,
EN300-71260,
Z1259273080,
|
| 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 | 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 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number