200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 827607-93-2
827607-93-2 | 1H-Indole, 5-methyl-4-nitro-1-(phenylsulfonyl)-
CAS No: 827607-93-2 Catalog No: AG004TQQ MDL No:
Product Description
Catalog Number:
AG004TQQ
Chemical Name:
1H-Indole, 5-methyl-4-nitro-1-(phenylsulfonyl)-
CAS Number:
827607-93-2
Molecular Formula:
C15H12N2O4S
Molecular Weight:
316.3318
IUPAC Name:
1-(benzenesulfonyl)-5-methyl-4-nitroindole
InChI:
InChI=1S/C15H12N2O4S/c1-11-7-8-14-13(15(11)17(18)19)9-10-16(14)22(20,21)12-5-3-2-4-6-12/h2-10H,1H3
InChI Key:
HCGWHGJYRJCSHD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(C)ccc2c1ccn2S(=O)(=O)c1ccccc1
Properties
Complexity:
519
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.052g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.331g/mol
Monoisotopic Mass:
316.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
93.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.