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Home > Indoles and Oxindole > 87582-34-1
87582-34-1 | 1H-Indole, 3-[[(2-methoxyphenyl)azo](phenylhydrazono)methyl]-
CAS No: 87582-34-1 Catalog No: AG004QZ2 MDL No:
Product Description
Catalog Number:
AG004QZ2
Chemical Name:
1H-Indole, 3-[[(2-methoxyphenyl)azo](phenylhydrazono)methyl]-
CAS Number:
87582-34-1
Molecular Formula:
C22H19N5O
Molecular Weight:
369.4192
IUPAC Name:
N'-anilino-N-(2-methoxyphenyl)imino-1H-indole-3-carboximidamide
InChI:
InChI=1S/C22H19N5O/c1-28-21-14-8-7-13-20(21)25-27-22(26-24-16-9-3-2-4-10-16)18-15-23-19-12-6-5-11-17(18)19/h2-15,23-24H,1H3/b26-22-,27-25?
InChI Key:
XIHCWJDOJYGBIJ-RKJZFJJQSA-N
SMILES:
COc1ccccc1N=NC(=NNc1ccccc1)c1c[nH]c2c1cccc2
Properties
Complexity:
545
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
369.159g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
369.428g/mol
Monoisotopic Mass:
369.159g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
74.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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