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Home > Indoles and Oxindole > 113854-61-8
113854-61-8 | 1H-Indole, 4-(2-oxiranylmethoxy)-1-(phenylsulfonyl)-
CAS No: 113854-61-8 Catalog No: AG0009XO MDL No:
Product Description
Catalog Number:
AG0009XO
Chemical Name:
1H-Indole, 4-(2-oxiranylmethoxy)-1-(phenylsulfonyl)-
CAS Number:
113854-61-8
Molecular Formula:
C17H15NO4S
Molecular Weight:
329.3703
IUPAC Name:
1-(benzenesulfonyl)-4-(oxiran-2-ylmethoxy)indole
InChI:
InChI=1S/C17H15NO4S/c19-23(20,14-5-2-1-3-6-14)18-10-9-15-16(18)7-4-8-17(15)22-12-13-11-21-13/h1-10,13H,11-12H2
InChI Key:
YVCMQHNDBOWSGV-UHFFFAOYSA-N
SMILES:
O=S(=O)(n1ccc2c1cccc2OCC1CO1)c1ccccc1
Properties
Complexity:
511
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.072g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.37g/mol
Monoisotopic Mass:
329.072g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
69.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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