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99949-62-9 | (M-CHLOROBENZYL)(2-(5-HYDROXYINDOL-3-YL)ETHYL)DIMETHYLAMMONIUM BROMIDE
CAS No: 99949-62-9 Catalog No: AG003VIJ MDL No:
Product Description
Catalog Number:
AG003VIJ
Chemical Name:
(M-CHLOROBENZYL)(2-(5-HYDROXYINDOL-3-YL)ETHYL)DIMETHYLAMMONIUM BROMIDE
CAS Number:
99949-62-9
Molecular Formula:
C19H22BrClN2O
Molecular Weight:
409.7478
IUPAC Name:
(3-chlorophenyl)methyl-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-dimethylazanium;bromide
InChI:
InChI=1S/C19H21ClN2O.BrH/c1-22(2,13-14-4-3-5-16(20)10-14)9-8-15-12-21-19-7-6-17(23)11-18(15)19;/h3-7,10-12,21H,8-9,13H2,1-2H3;1H
InChI Key:
FDAIEWSNTIWDGB-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)C[N+](CCc1c[nH]c2c1cc(O)cc2)(C)C.[Br-]
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.06g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
409.752g/mol
Monoisotopic Mass:
408.06g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
36A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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