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189148-52-5 | Quinolinium, 1-(2,3-dihydroxypropyl)-, bromide (1:1)
CAS No: 189148-52-5 Catalog No: AG002HY3 MDL No:
Product Description
Catalog Number:
AG002HY3
Chemical Name:
Quinolinium, 1-(2,3-dihydroxypropyl)-, bromide (1:1)
CAS Number:
189148-52-5
Molecular Formula:
C12H14BrNO2
Molecular Weight:
284.1491
IUPAC Name:
3-quinolin-1-ium-1-ylpropane-1,2-diol;bromide
InChI:
InChI=1S/C12H14NO2.BrH/c14-9-11(15)8-13-7-3-5-10-4-1-2-6-12(10)13;/h1-7,11,14-15H,8-9H2;1H/q+1;/p-1
InChI Key:
CNMDDWZFLIDFKE-UHFFFAOYSA-M
SMILES:
OCC(C[n+]1cccc2c1cccc2)O.[Br-]
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.021g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
284.153g/mol
Monoisotopic Mass:
283.021g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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