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Home > Indoles and Oxindole > 893736-30-6
893736-30-6 | 5-[4-(Methylsulfonyl)phenyl]indoline
CAS No: 893736-30-6 Catalog No: AG01EYMQ MDL No:
Product Description
Catalog Number:
AG01EYMQ
Chemical Name:
5-[4-(Methylsulfonyl)phenyl]indoline
CAS Number:
893736-30-6
Molecular Formula:
C15H15NO2S
Molecular Weight:
273.3501
IUPAC Name:
5-(4-methylsulfonylphenyl)-2,3-dihydro-1H-indole
InChI:
InChI=1S/C15H15NO2S/c1-19(17,18)14-5-2-11(3-6-14)12-4-7-15-13(10-12)8-9-16-15/h2-7,10,16H,8-9H2,1H3
InChI Key:
RNCPRPDEKXTBAA-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)c1ccc(cc1)c1ccc2c(c1)CCN2
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.082g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.35g/mol
Monoisotopic Mass:
273.082g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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