200,000+ products from a single source!
sales@angenechem.com
Home > Aldehydes > 827607-94-3
827607-94-3 | 1H-Indole-5-carboxaldehyde, 4-nitro-1-(phenylsulfonyl)-
CAS No: 827607-94-3 Catalog No: AG004TQP MDL No:
Product Description
Catalog Number:
AG004TQP
Chemical Name:
1H-Indole-5-carboxaldehyde, 4-nitro-1-(phenylsulfonyl)-
CAS Number:
827607-94-3
Molecular Formula:
C15H10N2O5S
Molecular Weight:
330.3153
IUPAC Name:
1-(benzenesulfonyl)-4-nitroindole-5-carbaldehyde
InChI:
InChI=1S/C15H10N2O5S/c18-10-11-6-7-14-13(15(11)17(19)20)8-9-16(14)23(21,22)12-4-2-1-3-5-12/h1-10H
InChI Key:
YIAOBVBZZZBTSX-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1[N+](=O)[O-])ccn2S(=O)(=O)c1ccccc1
Properties
Complexity:
561
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.031g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.314g/mol
Monoisotopic Mass:
330.031g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.