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161308-40-3 | Piperidinium, 1-(chloro-1-piperidinylmethylene)-, hexafluorophosphate(1-) (1:1)
CAS No: 161308-40-3 Catalog No: AG001SCF MDL No:MFCD00191817
Product Description
Catalog Number:
AG001SCF
Chemical Name:
Piperidinium, 1-(chloro-1-piperidinylmethylene)-, hexafluorophosphate(1-) (1:1)
CAS Number:
161308-40-3
Molecular Formula:
C11H20ClF6N2P
Molecular Weight:
360.7071
MDL Number:
MFCD00191817
IUPAC Name:
1-[chloro(piperidin-1-ium-1-ylidene)methyl]piperidine;hexafluorophosphate
InChI:
InChI=1S/C11H20ClN2.F6P/c12-11(13-7-3-1-4-8-13)14-9-5-2-6-10-14;1-7(2,3,4,5)6/h1-10H2;/q+1;-1
InChI Key:
GBGDXHWJVCOPDA-UHFFFAOYSA-N
SMILES:
F[P-](F)(F)(F)(F)F.ClC(=[N+]1CCCCC1)N1CCCCC1
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.096g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
360.709g/mol
Monoisotopic Mass:
360.096g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
6.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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