3-bromo-5-fluoro-2-methoxybenzonitrile

3-bromo-5-fluoro-2-methoxybenzonitrile

Formula: C8H5BrFNO

SMILES: COC1=C(C=C(F)C=C1Br)C#N

IUPAC: 3-bromo-5-fluoro-2-methoxybenzonitrile

InChI: InChI=1S/C8H5BrFNO/c1-12-8-5(4-11)2-6(10)3-7(8)9/h2-3H,1H3

Composition: C (41.77%), H (2.19%), Br (34.74%), F (8.26%), N (6.09%), O (6.95%)

Molar Mass: 230.036

Atom Count: 17

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	228.953855
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	DZGBUBXHLVKIRM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.08
Topological Polar Surface Area	33.02
Polarizability	17.39
Ring Count	1
Rotatable Bond Count	1

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C8H5BrFNO		Quote Only