6-bromo-8-fluoro-2,4-dihydro-1,4-benzoxazin-3-one

6-bromo-8-fluoro-2,4-dihydro-1,4-benzoxazin-3-one

CAS: 560082-53-3

Formula: C8H5BrFNO2

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

IUPAC: 6-bromo-8-fluoro-3,4-dihydro-2H-1,4-benzoxazin-3-one

InChI: InChI=1S/C8H5BrFNO2/c9-4-1-5(10)8-6(2-4)11-7(12)3-13-8/h1-2H,3H2,(H,11,12)

Composition: C (39.05%), H (2.05%), Br (32.48%), F (7.72%), N (5.69%), O (13.01%)

Molar Mass: 246.035

Atom Count: 18

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	244.94877
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	LMBVTDHVXJAUKM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.66
Topological Polar Surface Area	38.33
Polarizability	17.99
Ring Count	2
Rotatable Bond Count	0

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98.96%	<7 Days	560082-53-3		$41.14-$433.84$41.14$82.28$86.96$433.84