| CAS Number | 1157114-86-7 |
| Catalog Number | AG019U7F |
| Chemical Name | 4-bromo-1-(2-fluorophenyl)-1H-pyrazole-3-carboxylic acid |
| IUPAC Name | 4-bromo-1-(2-fluorophenyl)pyrazole-3-carboxylic acid |
| InChI | InChI=1S/C10H6BrFN2O2/c11-6-5-14(13-9(6)10(15)16)8-4-2-1-3-7(8)12/h1-5H,(H,15,16) |
| InChI Key | XYTDWUIMAMYVJT-UHFFFAOYSA-N |
| MDL Number | MFCD11505624 |
| Molecular Formula | C10H6BrFN2O2 |
| Molecular Weight | 285.0692 |
| SMILES | OC(C1C(Br)=CN(C2=C(F)C=CC=C2)N=1)=O |
| Synonyms | 4-bromo-1-(2-fluorophenyl)-1H-pyrazole-3-carboxylic acid,
1157114-86-7,
CTK7C2509,
AC1Q7463,
ZINC32627874,
AKOS009390385,
MCULE-5235577562,
NE55548,
EN300-40810,
Z415727990,
|
| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.96g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.072g/mol |
| Monoisotopic Mass | 283.96g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number