| CAS Number | 1216504-91-4 |
| Catalog Number | AG009B57(AGN-PC-0WBEH4) |
| Chemical Name | 3-Bromo-1-ethyl-1H-pyrazole |
| IUPAC Name | 3-bromo-1-ethylpyrazole |
| InChI | InChI=1S/C5H7BrN2/c1-2-8-4-3-5(6)7-8/h3-4H,2H2,1H3 |
| InChI Key | QXGVQSVGZXUMIZ-UHFFFAOYSA-N |
| MDL Number | MFCD13172823 |
| Molecular Formula | C5H7BrN2 |
| Molecular Weight | 175.0265 |
| SMILES | CCN1N=C(Br)C=C1 |
| Synonyms | 3-Bromo-1-ethyl-1H-pyrazole,
1216504-91-4,
3-bromo-1-ethylpyrazole,
SCHEMBL570024,
CTK6E9720,
DTXSID90651767,
3-Bromo-1-ethyl-1{h}-pyrazole,
1225AD,
MFCD09414729,
SBB054434,
ZINC20358063,
AKOS006331822,
MCULE-7270057281,
QC-5008,
C5H7BrN2,
|
| Complexity | 76.8 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.029g/mol |
| Monoisotopic Mass | 173.979g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number