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Home > Indoles and Oxindole > 697742-45-3
697742-45-3 | 1H-Indole, 3-methyl-1-[(4-nitrophenyl)sulfonyl]-
CAS No: 697742-45-3 Catalog No: AG005U10 MDL No:
Product Description
Catalog Number:
AG005U10
Chemical Name:
1H-Indole, 3-methyl-1-[(4-nitrophenyl)sulfonyl]-
CAS Number:
697742-45-3
Molecular Formula:
C15H12N2O4S
Molecular Weight:
316.3318
IUPAC Name:
3-methyl-1-(4-nitrophenyl)sulfonylindole
InChI:
InChI=1S/C15H12N2O4S/c1-11-10-16(15-5-3-2-4-14(11)15)22(20,21)13-8-6-12(7-9-13)17(18)19/h2-10H,1H3
InChI Key:
KUJHAQXRRKRAHD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)n1cc(c2c1cccc2)C
Properties
Complexity:
517
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
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