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Home > Fluorides > 893737-76-3
893737-76-3 | [2'-(Trifluoromethyl)[1,1'-biphenyl]-4-yl] acetonitrile
CAS No: 893737-76-3 Catalog No: AG01F7UV MDL No:
Product Description
Catalog Number:
AG01F7UV
Chemical Name:
[2'-(Trifluoromethyl)[1,1'-biphenyl]-4-yl] acetonitrile
CAS Number:
893737-76-3
Molecular Formula:
C15H10F3N
Molecular Weight:
261.2418
IUPAC Name:
2-[4-[2-(trifluoromethyl)phenyl]phenyl]acetonitrile
InChI:
InChI=1S/C15H10F3N/c16-15(17,18)14-4-2-1-3-13(14)12-7-5-11(6-8-12)9-10-19/h1-8H,9H2
InChI Key:
BXWXXHCAEFPJCO-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(cc1)c1ccccc1C(F)(F)F
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.077g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.247g/mol
Monoisotopic Mass:
261.077g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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