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Home > Fluorides > 1261738-31-1
1261738-31-1 | 3-Pyridinecarbonitrile, 5-[3-(trifluoromethyl)phenyl]-
CAS No: 1261738-31-1 Catalog No: AG000RYX MDL No:
Product Description
Catalog Number:
AG000RYX
Chemical Name:
3-Pyridinecarbonitrile, 5-[3-(trifluoromethyl)phenyl]-
CAS Number:
1261738-31-1
Molecular Formula:
C13H7F3N2
Molecular Weight:
248.2033
IUPAC Name:
5-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
InChI:
InChI=1S/C13H7F3N2/c14-13(15,16)12-3-1-2-10(5-12)11-4-9(6-17)7-18-8-11/h1-5,7-8H
InChI Key:
ZQGIIMBAHXUTRX-UHFFFAOYSA-N
SMILES:
N#Cc1cncc(c1)c1cccc(c1)C(F)(F)F
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.056g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.208g/mol
Monoisotopic Mass:
248.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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