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3-bromo-2-[(2-fluorophenyl)methoxy]-5-methylphenylboronic acid

3-bromo-2-[(2-fluorophenyl)methoxy]-5-methylphenylboronic acid

CAS: 849062-18-6

Formula: C14H13BBrFO3

SMILES: CC1=CC(Br)=C(OCC2=CC=CC=C2F)C(=C1)B(O)O

IUPAC: {3-bromo-2-[(2-fluorophenyl)methoxy]-5-methylphenyl}boronic acid

InChI: InChI=1S/C14H13BBrFO3/c1-9-6-11(15(18)19)14(12(16)7-9)20-8-10-4-2-3-5-13(10)17/h2-7,18-19H,8H2,1H3

Composition: C (49.61%), H (3.87%), B (3.19%), Br (23.57%), F (5.60%), O (14.16%)

Molar Mass: 338.97

Atom Count: 33

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 338.012515
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey RJFAJIGWAZAOBQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 74.56
Topological Polar Surface Area 49.69
Polarizability 29.92
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
96% <6 Days 849062-18-6 $205.85-$435.85$205.85$435.85
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