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77534-14-6 | 2H-Indol-2-one, 7-(2-fluorobenzoyl)-1,3-dihydro-3-(methylthio)-
CAS No: 77534-14-6 Catalog No: AG005H32 MDL No:
Product Description
Catalog Number:
AG005H32
Chemical Name:
2H-Indol-2-one, 7-(2-fluorobenzoyl)-1,3-dihydro-3-(methylthio)-
CAS Number:
77534-14-6
Molecular Formula:
C16H12FNO2S
Molecular Weight:
301.3354
IUPAC Name:
7-(2-fluorobenzoyl)-3-methylsulfanyl-1,3-dihydroindol-2-one
InChI:
InChI=1S/C16H12FNO2S/c1-21-15-11-7-4-6-10(13(11)18-16(15)20)14(19)9-5-2-3-8-12(9)17/h2-8,15H,1H3,(H,18,20)
InChI Key:
XQYMXFREJOWXPO-UHFFFAOYSA-N
SMILES:
CSC1C(=O)Nc2c1cccc2C(=O)c1ccccc1F
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.057g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.335g/mol
Monoisotopic Mass:
301.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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