Home Nitriles 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carbonitrile

3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carbonitrile

CAS No.:
1049772-84-0
Catalog Number:
AG01EJUV
Molecular Formula:
C6H5F2N3
Molecular Weight:
157.1208
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Product Description
Catalog Number:
AG01EJUV
Chemical Name:
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carbonitrile
CAS Number:
1049772-84-0
Molecular Formula:
C6H5F2N3
Molecular Weight:
157.1208
MDL Number:
MFCD31690092
IUPAC Name:
3-(difluoromethyl)-1-methylpyrazole-4-carbonitrile
InChI:
InChI=1S/C6H5F2N3/c1-11-3-4(2-9)5(10-11)6(7)8/h3,6H,1H3
InChI Key:
MLOOXLIVMUZBRJ-UHFFFAOYSA-N
SMILES:
N#Cc1cn(nc1C(F)F)C
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.045g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.124g/mol
Monoisotopic Mass:
157.045g/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