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Home > Aldehydes > 886499-30-5
886499-30-5 | 1-(4-Methyl-3-nitro-benzenesulfonyl)-1H-indole-3-carbaldehyde
CAS No: 886499-30-5 Catalog No: AG01EYDG MDL No:
Product Description
Catalog Number:
AG01EYDG
Chemical Name:
1-(4-Methyl-3-nitro-benzenesulfonyl)-1H-indole-3-carbaldehyde
CAS Number:
886499-30-5
Molecular Formula:
C16H12N2O5S
Molecular Weight:
344.3419
IUPAC Name:
1-(4-methyl-3-nitrophenyl)sulfonylindole-3-carbaldehyde
InChI:
InChI=1S/C16H12N2O5S/c1-11-6-7-13(8-16(11)18(20)21)24(22,23)17-9-12(10-19)14-4-2-3-5-15(14)17/h2-10H,1H3
InChI Key:
XEGQDVDILIAHQA-UHFFFAOYSA-N
SMILES:
O=Cc1cn(c2c1cccc2)S(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])C
Properties
Complexity:
597
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.047g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.341g/mol
Monoisotopic Mass:
344.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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