| CAS Number | 863751-81-9 |
| Catalog Number | AG01DIY3(AGN-PC-0H7P4C) |
| Chemical Name | 4-Bromo-1,5-dimethyl-1H-pyrazole-3-carbonitrile |
| IUPAC Name | 4-bromo-1,5-dimethylpyrazole-3-carbonitrile |
| InChI | InChI=1S/C6H6BrN3/c1-4-6(7)5(3-8)9-10(4)2/h1-2H3 |
| InChI Key | VWTIUMYSFBCCCN-UHFFFAOYSA-N |
| MDL Number | MFCD30478437 |
| Molecular Formula | C6H6BrN3 |
| Molecular Weight | 200.0359 |
| SMILES | N#Cc1nn(c(c1Br)C)C |
| Synonyms | 4-bromo-1,5-dimethyl-1H-pyrazole-3-carbonitrile,
863751-81-9,
SCHEMBL1234225,
VWTIUMYSFBCCCN-UHFFFAOYSA-N,
MFCD30478437,
AKOS030524393,
CS-0062068,
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| 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
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