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Home > Indoles and Oxindole > 88207-11-8
88207-11-8 | 1H-Indole, 2-[2-(hydroxymethyl)-5-nitrobenzoyl]-1-(phenylsulfonyl)-
CAS No: 88207-11-8 Catalog No: AG004DWD MDL No:
Product Description
Catalog Number:
AG004DWD
Chemical Name:
1H-Indole, 2-[2-(hydroxymethyl)-5-nitrobenzoyl]-1-(phenylsulfonyl)-
CAS Number:
88207-11-8
Molecular Formula:
C22H16N2O6S
Molecular Weight:
436.4372
IUPAC Name:
[1-(benzenesulfonyl)indol-2-yl]-[2-(hydroxymethyl)-5-nitrophenyl]methanone
InChI:
InChI=1S/C22H16N2O6S/c25-14-16-10-11-17(24(27)28)13-19(16)22(26)21-12-15-6-4-5-9-20(15)23(21)31(29,30)18-7-2-1-3-8-18/h1-13,25H,14H2
InChI Key:
IOEFKJSFEBYLAN-UHFFFAOYSA-N
SMILES:
OCc1ccc(cc1C(=O)c1cc2c(n1S(=O)(=O)c1ccccc1)cccc2)[N+](=O)[O-]
Properties
Complexity:
770
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
436.073g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
436.438g/mol
Monoisotopic Mass:
436.073g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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