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5,6-difluoro-2H-isoindole-1,3-dione

5,6-difluoro-2H-isoindole-1,3-dione

CAS: 83684-73-5

Formula: C8H3F2NO2

SMILES: FC1=C(F)C=C2C(=O)NC(=O)C2=C1

IUPAC: 5,6-difluoro-2,3-dihydro-1H-isoindole-1,3-dione

InChI: InChI=1S/C8H3F2NO2/c9-5-1-3-4(2-6(5)10)8(13)11-7(3)12/h1-2H,(H,11,12,13)

Composition: C (52.47%), H (1.65%), F (20.75%), N (7.65%), O (17.47%)

Molar Mass: 183.114

Atom Count: 16

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 183.013184667
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey MROUYCSLODQSRN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 39.75
Topological Polar Surface Area 46.17
Polarizability 13.82
Ring Count 2
Rotatable Bond Count 0

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