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Home > Indoles and Oxindole > 79315-62-1
79315-62-1 | 4-(Benzyloxy);-1-(phenylsulfonyl);-1H-indole
CAS No: 79315-62-1 Catalog No: AG005KDY MDL No:MFCD11558894
Product Description
Catalog Number:
AG005KDY
Chemical Name:
4-(Benzyloxy);-1-(phenylsulfonyl);-1H-indole
CAS Number:
79315-62-1
Molecular Formula:
C21H17NO3S
Molecular Weight:
363.4296
MDL Number:
MFCD11558894
IUPAC Name:
1-(benzenesulfonyl)-4-phenylmethoxyindole
InChI:
InChI=1S/C21H17NO3S/c23-26(24,18-10-5-2-6-11-18)22-15-14-19-20(22)12-7-13-21(19)25-16-17-8-3-1-4-9-17/h1-15H,16H2
InChI Key:
PJQIKOUOYALITN-UHFFFAOYSA-N
SMILES:
O=S(=O)(n1ccc2c1cccc2OCc1ccccc1)c1ccccc1
Properties
Complexity:
546
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.093g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
363.431g/mol
Monoisotopic Mass:
363.093g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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