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88246-04-2 | 1H-Indole-4-carboxaldehyde, 1-[(phenylmethyl)sulfonyl]-
CAS No: 88246-04-2 Catalog No: AG004AYA MDL No:
Product Description
Catalog Number:
AG004AYA
Chemical Name:
1H-Indole-4-carboxaldehyde, 1-[(phenylmethyl)sulfonyl]-
CAS Number:
88246-04-2
Molecular Formula:
C16H13NO3S
Molecular Weight:
299.3443
IUPAC Name:
1-benzylsulfonylindole-4-carbaldehyde
InChI:
InChI=1S/C16H13NO3S/c18-11-14-7-4-8-16-15(14)9-10-17(16)21(19,20)12-13-5-2-1-3-6-13/h1-11H,12H2
InChI Key:
QEQRQCHJADUVAO-UHFFFAOYSA-N
SMILES:
O=Cc1cccc2c1ccn2S(=O)(=O)Cc1ccccc1
Properties
Complexity:
464
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:
4
Topological Polar Surface Area:
64.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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