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6-fluoro-2,4-dihydro-1,4-benzoxazin-3-one

6-fluoro-2,4-dihydro-1,4-benzoxazin-3-one

CAS: 398-63-0

Formula: C8H6FNO2

SMILES: FC1=CC=C2OCC(=O)NC2=C1

IUPAC: 6-fluoro-3,4-dihydro-2H-1,4-benzoxazin-3-one

InChI: InChI=1S/C8H6FNO2/c9-5-1-2-7-6(3-5)10-8(11)4-12-7/h1-3H,4H2,(H,10,11)

Composition: C (57.49%), H (3.62%), F (11.37%), N (8.38%), O (19.14%)

Molar Mass: 167.139

Atom Count: 18

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 167.0382566
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey ZKNRUFWEZPGGQP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 41.04
Topological Polar Surface Area 38.33
Polarizability 14.93
Ring Count 2
Rotatable Bond Count 0

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