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79681-04-2 | 1H-Indole-4-carboxaldehyde, 1-[(4-methylphenyl)sulfonyl]-
CAS No: 79681-04-2 Catalog No: AG008LNQ MDL No:
Product Description
Catalog Number:
AG008LNQ
Chemical Name:
1H-Indole-4-carboxaldehyde, 1-[(4-methylphenyl)sulfonyl]-
CAS Number:
79681-04-2
Molecular Formula:
C16H13NO3S
Molecular Weight:
299.3443
IUPAC Name:
1-(4-methylphenyl)sulfonylindole-4-carbaldehyde
InChI:
InChI=1S/C16H13NO3S/c1-12-5-7-14(8-6-12)21(19,20)17-10-9-15-13(11-18)3-2-4-16(15)17/h2-11H,1H3
InChI Key:
YMEZZGXKZZPIJQ-UHFFFAOYSA-N
SMILES:
O=Cc1cccc2c1ccn2S(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.062g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.344g/mol
Monoisotopic Mass:
299.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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