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2,3-difluoro-6-methoxyphenylboronic acid

2,3-difluoro-6-methoxyphenylboronic acid

CAS: 957061-21-1

Formula: C7H7BF2O3

SMILES: COC1=CC=C(F)C(F)=C1B(O)O

IUPAC: (2,3-difluoro-6-methoxyphenyl)boronic acid

InChI: InChI=1S/C7H7BF2O3/c1-13-5-3-2-4(9)7(10)6(5)8(11)12/h2-3,11-12H,1H3

Composition: C (44.74%), H (3.75%), B (5.75%), F (20.22%), O (25.54%)

Molar Mass: 187.94

Atom Count: 20

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 188.04563
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey IWTBPDRQHIEPBQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 37.5
Topological Polar Surface Area 49.69
Polarizability 15.6
Ring Count 1
Rotatable Bond Count 2

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