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80664-26-2 | 1H-Indole-3-carboxaldehyde, 1-[(4-methoxyphenyl)sulfonyl]-2-methyl-
CAS No: 80664-26-2 Catalog No: AG005JZQ MDL No:
Product Description
Catalog Number:
AG005JZQ
Chemical Name:
1H-Indole-3-carboxaldehyde, 1-[(4-methoxyphenyl)sulfonyl]-2-methyl-
CAS Number:
80664-26-2
Molecular Formula:
C17H15NO4S
Molecular Weight:
329.3703
IUPAC Name:
1-(4-methoxyphenyl)sulfonyl-2-methylindole-3-carbaldehyde
InChI:
InChI=1S/C17H15NO4S/c1-12-16(11-19)15-5-3-4-6-17(15)18(12)23(20,21)14-9-7-13(22-2)8-10-14/h3-11H,1-2H3
InChI Key:
VOQNNEWDQXKQCU-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)S(=O)(=O)n1c2ccccc2c(c1C)C=O
Properties
Complexity:
521
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.072g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.37g/mol
Monoisotopic Mass:
329.072g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
73.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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