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Home > Fluorides > 100487-80-7
100487-80-7 | 2H-Indol-2-one, 5-fluoro-1,3-dihydro-3-(methylthio)-
CAS No: 100487-80-7 Catalog No: AG00023B MDL No:
Product Description
Catalog Number:
AG00023B
Chemical Name:
2H-Indol-2-one, 5-fluoro-1,3-dihydro-3-(methylthio)-
CAS Number:
100487-80-7
Molecular Formula:
C9H8FNOS
Molecular Weight:
197.2293
IUPAC Name:
5-fluoro-3-methylsulfanyl-1,3-dihydroindol-2-one
InChI:
InChI=1S/C9H8FNOS/c1-13-8-6-4-5(10)2-3-7(6)11-9(8)12/h2-4,8H,1H3,(H,11,12)
InChI Key:
FAXDPCNVALCCBO-UHFFFAOYSA-N
SMILES:
CSC1C(=O)Nc2c1cc(F)cc2
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.031g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.227g/mol
Monoisotopic Mass:
197.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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