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1-bromo-5-fluoro-2,4-dimethoxybenzene

1-bromo-5-fluoro-2,4-dimethoxybenzene

CAS: 1208077-05-7

Formula: C8H8BrFO2

SMILES: COC1=CC(OC)=C(Br)C=C1F

IUPAC: 1-bromo-5-fluoro-2,4-dimethoxybenzene

InChI: InChI=1S/C8H8BrFO2/c1-11-7-4-8(12-2)6(10)3-5(7)9/h3-4H,1-2H3

Composition: C (40.88%), H (3.43%), Br (33.99%), F (8.08%), O (13.61%)

Molar Mass: 235.052

Atom Count: 20

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 233.969171
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey MWJHSXFASKNIOO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.82
Topological Polar Surface Area 18.46
Polarizability 18.08
Ring Count 1
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 1208077-05-7 $133.67-$199.24$133.67$199.24
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