| CAS Number | 1341871-95-1 |
| Catalog Number | AG01A4NG(AGN-PC-0WO6ON) |
| Chemical Name | 5-bromo-1,3-dimethyl-1H-pyrazole-4-carbonitrile |
| IUPAC Name | 5-bromo-1,3-dimethylpyrazole-4-carbonitrile |
| InChI | InChI=1S/C6H6BrN3/c1-4-5(3-8)6(7)10(2)9-4/h1-2H3 |
| InChI Key | RVPDDBMDVIUYEW-UHFFFAOYSA-N |
| MDL Number | MFCD18879013 |
| Molecular Formula | C6H6BrN3 |
| Molecular Weight | 200.0359 |
| SMILES | N#CC1=C(Br)N(C)N=C1C |
| Synonyms | 5-bromo-1,3-dimethyl-1H-pyrazole-4-carbonitrile,
1341871-95-1,
ZINC82583695,
AKOS013067989,
FCH2609652,
NE29348,
BBV-37843898,
EN300-126231,
4-bromo-1,3-dimethyl-1H-pyrazole-5-carbonitrile,
|
| Complexity | 173 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.975g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.039g/mol |
| Monoisotopic Mass | 198.975g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number