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2-fluoro-3,5-dimethylphenylboronic acid

2-fluoro-3,5-dimethylphenylboronic acid

Formula: C8H10BFO2

SMILES: CC1=CC(C)=C(F)C(=C1)B(O)O

IUPAC: (2-fluoro-3,5-dimethylphenyl)boronic acid

InChI: InChI=1S/C8H10BFO2/c1-5-3-6(2)8(10)7(4-5)9(11)12/h3-4,11-12H,1-2H3

Composition: C (57.20%), H (6.00%), B (6.44%), F (11.31%), O (19.05%)

Molar Mass: 167.97

Atom Count: 22

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 168.075788
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey QFKHEXYYROTZMR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 40.9
Topological Polar Surface Area 40.46
Polarizability 16.74
Ring Count 1
Rotatable Bond Count 1

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Purity LeadTime Formula UnitPrice
98% <10 Days C8H10BFO2 Quote Only