6-bromo-5-chloro-2,4-dihydro-1,4-benzoxazin-3-one

6-bromo-5-chloro-2,4-dihydro-1,4-benzoxazin-3-one

CAS: 1154740-66-5

Formula: C8H5BrClNO2

SMILES: ClC1=C2NC(=O)COC2=CC=C1Br

IUPAC: 6-bromo-5-chloro-3,4-dihydro-2H-1,4-benzoxazin-3-one

InChI: InChI=1S/C8H5BrClNO2/c9-4-1-2-5-8(7(4)10)11-6(12)3-13-5/h1-2H,3H2,(H,11,12)

Composition: C (36.61%), H (1.92%), Br (30.44%), Cl (13.51%), N (5.34%), O (12.19%)

Molar Mass: 262.49

Atom Count: 18

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	260.919219
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	DTSSBFUGQWFOHI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.25
Topological Polar Surface Area	38.33
Polarizability	20.13
Ring Count	2
Rotatable Bond Count	0

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Purity	LeadTime	CAS	PacketSize	UnitPrice
96.51%	<7 Days	1154740-66-5		$83.22-$1,512.83$83.22$140.25$370.26$870.49$1,512.83