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Home > Indoles and Oxindole > 114642-81-8
114642-81-8 | 1H-Indole, 3-methyl-2-[2-(4-nitrophenyl)diazenyl]-
CAS No: 114642-81-8 Catalog No: AG000EWH MDL No:
Product Description
Catalog Number:
AG000EWH
Chemical Name:
1H-Indole, 3-methyl-2-[2-(4-nitrophenyl)diazenyl]-
CAS Number:
114642-81-8
Molecular Formula:
C15H12N4O2
Molecular Weight:
280.2814
IUPAC Name:
(3-methyl-1H-indol-2-yl)-(4-nitrophenyl)diazene
InChI:
InChI=1S/C15H12N4O2/c1-10-13-4-2-3-5-14(13)16-15(10)18-17-11-6-8-12(9-7-11)19(20)21/h2-9,16H,1H3
InChI Key:
VIVRDQBWNFUWQB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)N=Nc1[nH]c2c(c1C)cccc2
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.096g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.287g/mol
Monoisotopic Mass:
280.096g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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