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73287-58-8 | 1H-Indazolium,1,2-dimethyl-3-[2-(2-methyl-1H-indol-3-yl)diazenyl]-, chloride (1:1)
CAS No: 73287-58-8 Catalog No: AG0061S9 MDL No:
Product Description
Catalog Number:
AG0061S9
Chemical Name:
1H-Indazolium,1,2-dimethyl-3-[2-(2-methyl-1H-indol-3-yl)diazenyl]-, chloride (1:1)
CAS Number:
73287-58-8
Molecular Formula:
C18H20ClN5
Molecular Weight:
341.8379
IUPAC Name:
(1,2-dimethyl-1,3-dihydroindazol-1-ium-3-yl)-(2-methyl-1H-indol-3-yl)diazene;chloride
InChI:
InChI=1S/C18H19N5.ClH/c1-12-17(13-8-4-6-10-15(13)19-12)20-21-18-14-9-5-7-11-16(14)22(2)23(18)3;/h4-11,18-19H,1-3H3;1H
InChI Key:
ULPURJRBQVYUMW-UHFFFAOYSA-N
SMILES:
CN1[NH+](C)c2c(C1N=Nc1c(C)[nH]c3c1cccc3)cccc2.[Cl-]
EC Number:
277-358-1
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.141g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
341.843g/mol
Monoisotopic Mass:
341.141g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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