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Home > Fluorides > 1393330-51-2
1393330-51-2 | 4-{[4-(Trifluoromethyl)phenyl]methyl}oxane-4-carbonitrile
CAS No: 1393330-51-2 Catalog No: AG01F7BQ MDL No:
Product Description
Catalog Number:
AG01F7BQ
Chemical Name:
4-{[4-(Trifluoromethyl)phenyl]methyl}oxane-4-carbonitrile
CAS Number:
1393330-51-2
Molecular Formula:
C14H14F3NO
Molecular Weight:
269.2623
IUPAC Name:
4-[[4-(trifluoromethyl)phenyl]methyl]oxane-4-carbonitrile
InChI:
InChI=1S/C14H14F3NO/c15-14(16,17)12-3-1-11(2-4-12)9-13(10-18)5-7-19-8-6-13/h1-4H,5-9H2
InChI Key:
VSETUUIIPVCOJE-UHFFFAOYSA-N
SMILES:
N#CC1(CCOCC1)Cc1ccc(cc1)C(F)(F)F
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.103g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.267g/mol
Monoisotopic Mass:
269.103g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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