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Home > Fluorides > 192699-59-5
192699-59-5 | 2'-(Trifluoromethyl)[1,1'-biphenyl]-3-carbonitrile
CAS No: 192699-59-5 Catalog No: AG01F947 MDL No:
Product Description
Catalog Number:
AG01F947
Chemical Name:
2'-(Trifluoromethyl)[1,1'-biphenyl]-3-carbonitrile
CAS Number:
192699-59-5
Molecular Formula:
C14H8F3N
Molecular Weight:
247.2152
IUPAC Name:
3-[2-(trifluoromethyl)phenyl]benzonitrile
InChI:
InChI=1S/C14H8F3N/c15-14(16,17)13-7-2-1-6-12(13)11-5-3-4-10(8-11)9-18/h1-8H
InChI Key:
MJUKVPIAEVEIFE-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)c1ccccc1C(F)(F)F
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.061g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.22g/mol
Monoisotopic Mass:
247.061g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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