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3-bromo-2-fluoro-6-methoxybenzonitrile

3-bromo-2-fluoro-6-methoxybenzonitrile

CAS: 1428478-66-3

Formula: C8H5BrFNO

SMILES: COC1=CC=C(Br)C(F)=C1C#N

IUPAC: 3-bromo-2-fluoro-6-methoxybenzonitrile

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