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Home > Fluorides > 827322-84-9
827322-84-9 | 4-Piperidinecarbonitrile, 1-[3-(trifluoromethyl)phenyl]-
CAS No: 827322-84-9 Catalog No: AG004ZW1 MDL No:
Product Description
Catalog Number:
AG004ZW1
Chemical Name:
4-Piperidinecarbonitrile, 1-[3-(trifluoromethyl)phenyl]-
CAS Number:
827322-84-9
Molecular Formula:
C13H13F3N2
Molecular Weight:
254.2509
IUPAC Name:
1-[3-(trifluoromethyl)phenyl]piperidine-4-carbonitrile
InChI:
InChI=1S/C13H13F3N2/c14-13(15,16)11-2-1-3-12(8-11)18-6-4-10(9-17)5-7-18/h1-3,8,10H,4-7H2
InChI Key:
AUOVOWKIVAQAFS-UHFFFAOYSA-N
SMILES:
N#CC1CCN(CC1)c1cccc(c1)C(F)(F)F
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.103g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.256g/mol
Monoisotopic Mass:
254.103g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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