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Home > Fluorides > 1170475-37-2
1170475-37-2 | Piperidine, 3-[[3-(trifluoromethyl)phenyl]methyl]-, hydrochloride (1:1)
CAS No: 1170475-37-2 Catalog No: AG000DM7 MDL No:
Product Description
Catalog Number:
AG000DM7
Chemical Name:
Piperidine, 3-[[3-(trifluoromethyl)phenyl]methyl]-, hydrochloride (1:1)
CAS Number:
1170475-37-2
Molecular Formula:
C13H17ClF3N
Molecular Weight:
279.7290
IUPAC Name:
3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-ium;chloride
InChI:
InChI=1S/C13H16F3N.ClH/c14-13(15,16)12-5-1-3-10(8-12)7-11-4-2-6-17-9-11;/h1,3,5,8,11,17H,2,4,6-7,9H2;1H
InChI Key:
VBZOXRPAYNGOHE-UHFFFAOYSA-N
SMILES:
FC(c1cccc(c1)CC1CCCNC1)(F)F.Cl
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.731g/mol
Monoisotopic Mass:
279.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
16.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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