| CAS Number | 1152881-97-4 |
| Catalog Number | AG019MZM |
| Chemical Name | 1-(4-bromophenyl)-5-ethyl-1H-pyrazole-4-carboxylic acid |
| IUPAC Name | 1-(4-bromophenyl)-5-ethylpyrazole-4-carboxylic acid |
| InChI | InChI=1S/C12H11BrN2O2/c1-2-11-10(12(16)17)7-14-15(11)9-5-3-8(13)4-6-9/h3-7H,2H2,1H3,(H,16,17) |
| InChI Key | RZZQEFGGSVWEAH-UHFFFAOYSA-N |
| MDL Number | MFCD11099613 |
| Molecular Formula | C12H11BrN2O2 |
| Molecular Weight | 295.1319 |
| SMILES | CCC1N(C2=CC=C(Br)C=C2)N=CC=1C(O)=O |
| Synonyms | 1-(4-bromophenyl)-5-ethyl-1H-pyrazole-4-carboxylic acid,
1152881-97-4,
AC1Q2SUK,
CTK6D0794,
ZINC20082312,
AKOS009185491,
MCULE-3891170522,
NE17889,
EN300-39028,
Z425387798,
1-(4-Bromophenyl)-5-ethyl-1H-pyrazole-4-carboxylic acid, AldrichCPR,
|
| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 294g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 295.136g/mol |
| Monoisotopic Mass | 294g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number