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135540-11-3 | 1-(Chloro(pyrrolidin-1-yl)methylene)pyrrolidin-1-ium hexafluorophosphate(V)
CAS No: 135540-11-3 Catalog No: AG003D2Q MDL No:MFCD00191333
Product Description
Catalog Number:
AG003D2Q
Chemical Name:
1-(Chloro(pyrrolidin-1-yl)methylene)pyrrolidin-1-ium hexafluorophosphate(V)
CAS Number:
135540-11-3
Molecular Formula:
C9H16ClF6N2P
Molecular Weight:
332.6539
MDL Number:
MFCD00191333
IUPAC Name:
1-[chloro(pyrrolidin-1-ium-1-ylidene)methyl]pyrrolidine;hexafluorophosphate
InChI:
InChI=1S/C9H16ClN2.F6P/c10-9(11-5-1-2-6-11)12-7-3-4-8-12;1-7(2,3,4,5)6/h1-8H2;/q+1;-1
InChI Key:
NHEGCUSBUWGOQM-UHFFFAOYSA-N
SMILES:
F[P-](F)(F)(F)(F)F.ClC(=[N+]1CCCC1)N1CCCC1
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.064g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.655g/mol
Monoisotopic Mass:
332.064g/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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