3-fluoro-5-methoxyphenylboronic acid

3-fluoro-5-methoxyphenylboronic acid

CAS: 609807-25-2

Formula: C7H8BFO3

SMILES: COC1=CC(=CC(F)=C1)B(O)O

IUPAC: (3-fluoro-5-methoxyphenyl)boronic acid

InChI: InChI=1S/C7H8BFO3/c1-12-7-3-5(8(10)11)2-6(9)4-7/h2-4,10-11H,1H3

Composition: C (49.47%), H (4.75%), B (6.36%), F (11.18%), O (28.24%)

Molar Mass: 169.95

Atom Count: 20

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	170.055052
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	MQFKLCWETPKBCH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	37.28
Topological Polar Surface Area	49.69
Polarizability	15.78
Ring Count	1
Rotatable Bond Count	2

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