200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 1159-13-3
1159-13-3 | 1H-Isoindole, 2,3-dihydro-2-[(4-methylphenyl)sulfonyl]-5-nitro-
CAS No: 1159-13-3 Catalog No: AG000H2J MDL No:
Product Description
Catalog Number:
AG000H2J
Chemical Name:
1H-Isoindole, 2,3-dihydro-2-[(4-methylphenyl)sulfonyl]-5-nitro-
CAS Number:
1159-13-3
Molecular Formula:
C15H14N2O4S
Molecular Weight:
318.3477
IUPAC Name:
2-(4-methylphenyl)sulfonyl-5-nitro-1,3-dihydroisoindole
InChI:
InChI=1S/C15H14N2O4S/c1-11-2-6-15(7-3-11)22(20,21)16-9-12-4-5-14(17(18)19)8-13(12)10-16/h2-8H,9-10H2,1H3
InChI Key:
VXMZXCRFZXOIFG-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)N1Cc2c(C1)ccc(c2)[N+](=O)[O-]
NSC Number:
105642
Properties
Complexity:
517
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.067g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.347g/mol
Monoisotopic Mass:
318.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.