Home Nitriles 1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile

1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile

CAS No.:
1049772-79-3
Catalog Number:
AG0095WE
Molecular Formula:
C6H4F3N3
Molecular Weight:
175.1113
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Product Description
Catalog Number:
AG0095WE
Chemical Name:
1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile
CAS Number:
1049772-79-3
Molecular Formula:
C6H4F3N3
Molecular Weight:
175.1113
MDL Number:
MFCD12403326
IUPAC Name:
1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile
InChI:
InChI=1S/C6H4F3N3/c1-12-3-4(2-10)5(11-12)6(7,8)9/h3H,1H3
InChI Key:
YXRPXQBZZYMFCL-UHFFFAOYSA-N
SMILES:
N#Cc1cn(nc1C(F)(F)F)C
Properties
Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.036g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.114g/mol
Monoisotopic Mass:
175.036g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties