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130567-40-7 | Pyridinium, 1-(3-chloro-2-hydroxypropyl)-, perchlorate (1:1)
CAS No: 130567-40-7 Catalog No: AG000UN6 MDL No:
Product Description
Catalog Number:
AG000UN6
Chemical Name:
Pyridinium, 1-(3-chloro-2-hydroxypropyl)-, perchlorate (1:1)
CAS Number:
130567-40-7
Molecular Formula:
C8H11Cl2NO5
Molecular Weight:
272.0826
IUPAC Name:
1-chloro-3-pyridin-1-ium-1-ylpropan-2-ol;perchlorate
InChI:
InChI=1S/C8H11ClNO.ClHO4/c9-6-8(11)7-10-4-2-1-3-5-10;2-1(3,4)5/h1-5,8,11H,6-7H2;(H,2,3,4,5)/q+1;/p-1
InChI Key:
IKNRVHVHOPVLDS-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.ClCC(C[n+]1ccccc1)O
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.001g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.078g/mol
Monoisotopic Mass:
271.001g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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