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4-fluoro-2-methylphenylboronic acid

4-fluoro-2-methylphenylboronic acid

CAS: 139911-29-8

Formula: C7H8BFO2

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

IUPAC: (4-fluoro-2-methylphenyl)boronic acid

InChI: InChI=1S/C7H8BFO2/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4,10-11H,1H3

Composition: C (54.61%), H (5.24%), B (7.02%), F (12.34%), O (20.79%)

Molar Mass: 153.95

Atom Count: 19

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 154.060138
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey IQMLIVUHMSIOQP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 35.86
Topological Polar Surface Area 40.46
Polarizability 14.98
Ring Count 1
Rotatable Bond Count 1

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