2-(4-Bromo-1-methyl-1H-pyrazol-5-yl)acetonitrile - CAS 1310379-54-4
Catalog: |
BB051978 |
Product Name: |
2-(4-Bromo-1-methyl-1H-pyrazol-5-yl)acetonitrile |
CAS: |
1310379-54-4 |
Synonyms: |
(4-Bromo-1-methyl-1H-pyrazol-5-yl)acetonitrile |
IUPAC Name: | 2-(4-bromo-2-methylpyrazol-3-yl)acetonitrile |
Molecular Weight: | 200.04 |
Molecular Formula: | C6H6BrN3 |
Canonical SMILES: | CN1C(=C(C=N1)Br)CC#N |
InChI: | InChI=1S/C6H6BrN3/c1-10-6(2-3-8)5(7)4-9-10/h4H,2H2,1H3 |
InChI Key: | NJYXVTFDPRFPAE-UHFFFAOYSA-N |
Complexity: | 162 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.97451 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.97451 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 41.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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