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112890-10-5 | 3-Methoxy-1-(phenylsulfonyl);-1H-indole
CAS No: 112890-10-5 Catalog No: AG007ROW MDL No:MFCD21604058
Product Description
Catalog Number:
AG007ROW
Chemical Name:
3-Methoxy-1-(phenylsulfonyl);-1H-indole
CAS Number:
112890-10-5
Molecular Formula:
C15H13NO3S
Molecular Weight:
287.3336
MDL Number:
MFCD21604058
IUPAC Name:
1-(benzenesulfonyl)-3-methoxyindole
InChI:
InChI=1S/C15H13NO3S/c1-19-15-11-16(14-10-6-5-9-13(14)15)20(17,18)12-7-3-2-4-8-12/h2-11H,1H3
InChI Key:
VBNRTPWONAGEFI-UHFFFAOYSA-N
SMILES:
COc1cn(c2c1cccc2)S(=O)(=O)c1ccccc1
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.062g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.333g/mol
Monoisotopic Mass:
287.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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