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88939-67-7 | 1H-Indole-2-carboxaldehyde, 3-ethyl-1-[(4-methoxyphenyl)sulfonyl]-
CAS No: 88939-67-7 Catalog No: AG0089WD MDL No:
Product Description
Catalog Number:
AG0089WD
Chemical Name:
1H-Indole-2-carboxaldehyde, 3-ethyl-1-[(4-methoxyphenyl)sulfonyl]-
CAS Number:
88939-67-7
Molecular Formula:
C18H17NO4S
Molecular Weight:
343.3969
IUPAC Name:
3-ethyl-1-(4-methoxyphenyl)sulfonylindole-2-carbaldehyde
InChI:
InChI=1S/C18H17NO4S/c1-3-15-16-6-4-5-7-17(16)19(18(15)12-20)24(21,22)14-10-8-13(23-2)9-11-14/h4-12H,3H2,1-2H3
InChI Key:
WGCAJUWJPYXBOJ-UHFFFAOYSA-N
SMILES:
O=Cc1c(CC)c2c(n1S(=O)(=O)c1ccc(cc1)OC)cccc2
Properties
Complexity:
536
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.088g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
343.397g/mol
Monoisotopic Mass:
343.088g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
73.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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