Home Halogens 2-(4-bromo-1-methyl-1H-pyrazol-3-yl)acetonitrile

2-(4-bromo-1-methyl-1H-pyrazol-3-yl)acetonitrile

CAS No.:
1310379-44-2
Catalog Number:
AG01AOM3
Molecular Formula:
C6H6BrN3
Molecular Weight:
200.0359
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Product Description
Catalog Number:
AG01AOM3
Chemical Name:
2-(4-bromo-1-methyl-1H-pyrazol-3-yl)acetonitrile
CAS Number:
1310379-44-2
Molecular Formula:
C6H6BrN3
Molecular Weight:
200.0359
MDL Number:
MFCD20491512
IUPAC Name:
2-(4-bromo-1-methylpyrazol-3-yl)acetonitrile
InChI:
InChI=1S/C6H6BrN3/c1-10-4-5(7)6(9-10)2-3-8/h4H,2H2,1H3
InChI Key:
VYZNKXBPWQXLFC-UHFFFAOYSA-N
SMILES:
Cn1cc(c(n1)CC#N)Br
Properties
Complexity:
162  
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:
1  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties