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2-chloro-6-fluoro-3-methylphenylboronic acid

2-chloro-6-fluoro-3-methylphenylboronic acid

CAS: 352535-85-4

Formula: C7H7BClFO2

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

IUPAC: (2-chloro-6-fluoro-3-methylphenyl)boronic acid

InChI: InChI=1S/C7H7BClFO2/c1-4-2-3-5(10)6(7(4)9)8(11)12/h2-3,11-12H,1H3

Composition: C (44.63%), H (3.75%), B (5.74%), Cl (18.82%), F (10.08%), O (16.99%)

Molar Mass: 188.39

Atom Count: 19

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 188.021165
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey FOZVMQJCNIKFOB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 40.67
Topological Polar Surface Area 40.46
Polarizability 16.94
Ring Count 1
Rotatable Bond Count 1

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