| CAS Number | 1093193-15-7 |
| Catalog Number | AG00HBFF(AGN-PC-0WRAAM) |
| Chemical Name | 4-(2,2-Dibromoethenyl)-1-methylpyrazole |
| IUPAC Name | 4-(2,2-dibromoethenyl)-1-methylpyrazole |
| InChI | InChI=1S/C6H6Br2N2/c1-10-4-5(3-9-10)2-6(7)8/h2-4H,1H3 |
| InChI Key | SPOQRFIUHCZJPJ-UHFFFAOYSA-N |
| MDL Number | MFCD23703723 |
| Molecular Formula | C6H6Br2N2 |
| Molecular Weight | 265.9332 |
| SMILES | CN1N=CC(/C=C(Br)/Br)=C1 |
| Synonyms | 4-(2,2-Dibromovinyl)-1-methyl-1H-pyrazole,
4-(2,2-dibromoethenyl)-1-methylpyrazole,
1093193-15-7,
SPOQRFIUHCZJPJ-UHFFFAOYSA-N,
SCHEMBL3020244,
SBB074342,
STL433283,
ZINC65336724,
AKOS016347749,
4-(2,2-dibromovinyl)-1-methylpyrazole,
4-(2,2-dibromoethenyl)-1-methyl-1H-pyrazole,
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| Complexity | 143 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.888g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.936g/mol |
| Monoisotopic Mass | 263.89g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number