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139084-62-1 | 6H-Pyrido[4,3-b]carbazolium, 2-(2-bromoethyl)-5,11-dimethyl-, bromide (1:1)
CAS No: 139084-62-1 Catalog No: AG001A7J MDL No:
Product Description
Catalog Number:
AG001A7J
Chemical Name:
6H-Pyrido[4,3-b]carbazolium, 2-(2-bromoethyl)-5,11-dimethyl-, bromide (1:1)
CAS Number:
139084-62-1
Molecular Formula:
C19H18Br2N2
Molecular Weight:
434.1676
IUPAC Name:
2-(2-bromoethyl)-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium;bromide
InChI:
InChI=1S/C19H17BrN2.BrH/c1-12-16-11-22(10-8-20)9-7-14(16)13(2)19-18(12)15-5-3-4-6-17(15)21-19;/h3-7,9,11H,8,10H2,1-2H3;1H
InChI Key:
PIWRGJSPJCGQAO-UHFFFAOYSA-N
SMILES:
BrCC[n+]1ccc2c(c1)c(C)c1c(c2C)[nH]c2c1cccc2.[Br-]
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
433.982g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
434.175g/mol
Monoisotopic Mass:
431.984g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
19.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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