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1018537-56-8 | 1H-Indole, 1-[[4-(2-chloroethyl)phenyl]sulfonyl]-2,3-dihydro-
CAS No: 1018537-56-8 Catalog No: AG0005QW MDL No:
Product Description
Catalog Number:
AG0005QW
Chemical Name:
1H-Indole, 1-[[4-(2-chloroethyl)phenyl]sulfonyl]-2,3-dihydro-
CAS Number:
1018537-56-8
Molecular Formula:
C16H16ClNO2S
Molecular Weight:
321.8217
IUPAC Name:
1-[4-(2-chloroethyl)phenyl]sulfonyl-2,3-dihydroindole
InChI:
InChI=1S/C16H16ClNO2S/c17-11-9-13-5-7-15(8-6-13)21(19,20)18-12-10-14-3-1-2-4-16(14)18/h1-8H,9-12H2
InChI Key:
XWHYTBNJMLPYLV-UHFFFAOYSA-N
SMILES:
ClCCc1ccc(cc1)S(=O)(=O)N1CCc2c1cccc2
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.059g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.819g/mol
Monoisotopic Mass:
321.059g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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