3-fluoro-4-methylphenylboronic acid

3-fluoro-4-methylphenylboronic acid

CAS: 168267-99-0

Formula: C7H8BFO2

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

IUPAC: (3-fluoro-4-methylphenyl)boronic acid

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