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471856-97-0 | 4-[1-(Trifluoromethyl)vinyl]benzonitrile
CAS No: 471856-97-0 Catalog No: AG01EW3N MDL No:
Product Description
Catalog Number:
AG01EW3N
Chemical Name:
4-[1-(Trifluoromethyl)vinyl]benzonitrile
CAS Number:
471856-97-0
Molecular Formula:
C10H6F3N
Molecular Weight:
197.1565
IUPAC Name:
4-(3,3,3-trifluoroprop-1-en-2-yl)benzonitrile
InChI:
InChI=1S/C10H6F3N/c1-7(10(11,12)13)9-4-2-8(6-14)3-5-9/h2-5H,1H2
InChI Key:
YMCLDFVIIXBKHP-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C(=C)C(F)(F)F
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.045g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.16g/mol
Monoisotopic Mass:
197.045g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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