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Home > Fluorides > 1004618-85-2
1004618-85-2 | Piperidine, 4-[4-(trifluoromethoxy)phenyl]-, hydrochloride (1:1)
CAS No: 1004618-85-2 Catalog No: AG00021B MDL No:MFCD28109000
Product Description
Catalog Number:
AG00021B
Chemical Name:
Piperidine, 4-[4-(trifluoromethoxy)phenyl]-, hydrochloride (1:1)
CAS Number:
1004618-85-2
Molecular Formula:
C12H15ClF3NO
Molecular Weight:
281.7018
MDL Number:
MFCD28109000
IUPAC Name:
4-[4-(trifluoromethoxy)phenyl]piperidine;hydrochloride
InChI:
InChI=1S/C12H14F3NO.ClH/c13-12(14,15)17-11-3-1-9(2-4-11)10-5-7-16-8-6-10;/h1-4,10,16H,5-8H2;1H
InChI Key:
XLVUSJGPLOCSCC-UHFFFAOYSA-N
SMILES:
FC(Oc1ccc(cc1)C1CCNCC1)(F)F.Cl
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.079g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
281.703g/mol
Monoisotopic Mass:
281.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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