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81816-15-1 | 1H-Indole-3-carboxaldehyde, 1-[(4-methoxyphenyl)sulfonyl]-
CAS No: 81816-15-1 Catalog No: AG0050CN MDL No:
Product Description
Catalog Number:
AG0050CN
Chemical Name:
1H-Indole-3-carboxaldehyde, 1-[(4-methoxyphenyl)sulfonyl]-
CAS Number:
81816-15-1
Molecular Formula:
C16H13NO4S
Molecular Weight:
315.3437
IUPAC Name:
1-(4-methoxyphenyl)sulfonylindole-3-carbaldehyde
InChI:
InChI=1S/C16H13NO4S/c1-21-13-6-8-14(9-7-13)22(19,20)17-10-12(11-18)15-4-2-3-5-16(15)17/h2-11H,1H3
InChI Key:
UYWORRZVTQKAFK-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)S(=O)(=O)n1cc(c2c1cccc2)C=O
Properties
Complexity:
493
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.057g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.343g/mol
Monoisotopic Mass:
315.057g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
73.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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