6-bromo-3,4-dihydro-1H-quinoxalin-2-one

6-bromo-3,4-dihydro-1H-quinoxalin-2-one

CAS: 854584-01-3

Formula: C8H7BrN2O

SMILES: BrC1=CC=C2NC(=O)CNC2=C1

IUPAC: 6-bromo-1,2,3,4-tetrahydroquinoxalin-2-one

InChI: InChI=1S/C8H7BrN2O/c9-5-1-2-6-7(3-5)10-4-8(12)11-6/h1-3,10H,4H2,(H,11,12)

Composition: C (42.32%), H (3.11%), Br (35.19%), N (12.34%), O (7.05%)

Molar Mass: 227.061

Atom Count: 19

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	225.974176
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	AFHCUZXZHPMRQJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.18
Topological Polar Surface Area	41.13
Polarizability	18.52
Ring Count	2
Rotatable Bond Count	0

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98.88%	<7 Days	854584-01-3		$8.42-$66.39$8.42$18.70$66.39