| CAS Number | 80308-80-1 |
| Catalog Number | AG005N2K(AGN-PC-00MT32) |
| Chemical Name | 4-Bromo-1-vinyl-1H-pyrazole |
| IUPAC Name | 4-bromo-1-ethenylpyrazole |
| InChI | InChI=1S/C5H5BrN2/c1-2-8-4-5(6)3-7-8/h2-4H,1H2 |
| InChI Key | XCFPSTHDQFDHPP-UHFFFAOYSA-N |
| MDL Number | MFCD02823967 |
| Molecular Formula | C5H5BrN2 |
| Molecular Weight | 173.0106 |
| SMILES | BrC1=CN(C=C)N=C1 |
| Synonyms | 4-Bromo-1-vinyl-1H-pyrazole,
80308-80-1,
1-vinyl-4-bromopyrazole,
1H-Pyrazole, 4-bromo-1-ethenyl-,
4-Bromo-1-ethenyl-1H-pyrazole,
CTK3E5773,
DTXSID70542260,
ZINC5495164,
ZX-CM006482,
FCH835773,
MFCD02823967,
AKOS006281418,
AJ-54207,
DA-18046,
FT-0742839,
W-9774,
InChI=1/C5H5BrN2/c1-2-8-4-5(6)3-7-8/h2-4H,1H,
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| Complexity | 94.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.964g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.013g/mol |
| Monoisotopic Mass | 171.964g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number