200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 67386-28-1
67386-28-1 | 1H-Indole, 2-methyl-1-[(4-methylphenyl)sulfonyl]-5-nitro-3-phenyl-
CAS No: 67386-28-1 Catalog No: AG006240 MDL No:
Product Description
Catalog Number:
AG006240
Chemical Name:
1H-Indole, 2-methyl-1-[(4-methylphenyl)sulfonyl]-5-nitro-3-phenyl-
CAS Number:
67386-28-1
Molecular Formula:
C22H18N2O4S
Molecular Weight:
406.4543
IUPAC Name:
2-methyl-1-(4-methylphenyl)sulfonyl-5-nitro-3-phenylindole
InChI:
InChI=1S/C22H18N2O4S/c1-15-8-11-19(12-9-15)29(27,28)23-16(2)22(17-6-4-3-5-7-17)20-14-18(24(25)26)10-13-21(20)23/h3-14H,1-2H3
InChI Key:
LWVPCFXGNLOOON-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)n1c2ccc(cc2c(c1C)c1ccccc1)[N+](=O)[O-]
Properties
Complexity:
687
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.099g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
406.456g/mol
Monoisotopic Mass:
406.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.