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115007-14-2 | Pyrrolidinium, 1-(chloro-1-pyrrolidinylmethylene)-, tetrafluoroborate(1-) (1:1)
CAS No: 115007-14-2 Catalog No: AG000FL5 MDL No:MFCD00191334
Product Description
Catalog Number:
AG000FL5
Chemical Name:
Pyrrolidinium, 1-(chloro-1-pyrrolidinylmethylene)-, tetrafluoroborate(1-) (1:1)
CAS Number:
115007-14-2
Molecular Formula:
C9H16BClF4N2
Molecular Weight:
274.4944
MDL Number:
MFCD00191334
IUPAC Name:
1-[chloro(pyrrolidin-1-ium-1-ylidene)methyl]pyrrolidine;tetrafluoroborate
InChI:
InChI=1S/C9H16ClN2.BF4/c10-9(11-5-1-2-6-11)12-7-3-4-8-12;2-1(3,4)5/h1-8H2;/q+1;-1
InChI Key:
NRROZYAIGHAMHH-UHFFFAOYSA-N
SMILES:
F[B-](F)(F)F.ClC(=[N+]1CCCC1)N1CCCC1
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.103g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.495g/mol
Monoisotopic Mass:
274.103g/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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