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117205-18-2 | Piperidinium, 3-[(chlorocarbonyl)oxy]-1,1-dimethyl-, chloride (1:1)
CAS No: 117205-18-2 Catalog No: AG000DXN MDL No:
Product Description
Catalog Number:
AG000DXN
Chemical Name:
Piperidinium, 3-[(chlorocarbonyl)oxy]-1,1-dimethyl-, chloride (1:1)
CAS Number:
117205-18-2
Molecular Formula:
C8H15Cl2NO2
Molecular Weight:
228.1162
IUPAC Name:
(1,1-dimethylpiperidin-1-ium-3-yl) carbonochloridate;chloride
InChI:
InChI=1S/C8H15ClNO2.ClH/c1-10(2)5-3-4-7(6-10)12-8(9)11;/h7H,3-6H2,1-2H3;1H/q+1;/p-1
InChI Key:
HQQCJLUKTAJHEN-UHFFFAOYSA-M
SMILES:
ClC(=O)OC1CCC[N+](C1)(C)C.[Cl-]
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.048g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.113g/mol
Monoisotopic Mass:
227.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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