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Home > Fluorides > 1365271-76-6
1365271-76-6 | [1,1'-Biphenyl]-2-carbonitrile, 4'-(trifluoromethoxy)-
CAS No: 1365271-76-6 Catalog No: AG0011YV MDL No:MFCD21609615
Product Description
Catalog Number:
AG0011YV
Chemical Name:
[1,1'-Biphenyl]-2-carbonitrile, 4'-(trifluoromethoxy)-
CAS Number:
1365271-76-6
Molecular Formula:
C14H8F3NO
Molecular Weight:
263.2146
MDL Number:
MFCD21609615
IUPAC Name:
2-[4-(trifluoromethoxy)phenyl]benzonitrile
InChI:
InChI=1S/C14H8F3NO/c15-14(16,17)19-12-7-5-10(6-8-12)13-4-2-1-3-11(13)9-18/h1-8H
InChI Key:
UQWWIGDRUFQCAJ-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1c1ccc(cc1)OC(F)(F)F
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.056g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.219g/mol
Monoisotopic Mass:
263.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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