Home Nitriles 4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]benzonitrile

4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]benzonitrile

CAS No.:
1059539-29-5
Catalog Number:
AG01AV2L
Molecular Formula:
C11H6F3N3
Molecular Weight:
237.1806
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Product Description
Catalog Number:
AG01AV2L
Chemical Name:
4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]benzonitrile
CAS Number:
1059539-29-5
Molecular Formula:
C11H6F3N3
Molecular Weight:
237.1806
MDL Number:
MFCD10001666
IUPAC Name:
4-[3-(trifluoromethyl)pyrazol-1-yl]benzonitrile
InChI:
InChI=1S/C11H6F3N3/c12-11(13,14)10-5-6-17(16-10)9-3-1-8(7-15)2-4-9/h1-6H
InChI Key:
GSGOFCBABYDJOB-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)n1ccc(n1)C(F)(F)F
Properties
Complexity:
312  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.051g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.185g/mol
Monoisotopic Mass:
237.051g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties