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2,5-difluoro-4-methylphenylboronic acid

2,5-difluoro-4-methylphenylboronic acid

CAS: 872219-20-0

Formula: C7H7BF2O2

SMILES: CC1=CC(F)=C(C=C1F)B(O)O

IUPAC: (2,5-difluoro-4-methylphenyl)boronic acid

InChI: InChI=1S/C7H7BF2O2/c1-4-2-7(10)5(8(11)12)3-6(4)9/h2-3,11-12H,1H3

Composition: C (48.90%), H (4.10%), B (6.29%), F (22.10%), O (18.61%)

Molar Mass: 171.94

Atom Count: 19

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 172.050716
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey DKKUJQFCQLEUSY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 36.08
Topological Polar Surface Area 40.46
Polarizability 14.78
Ring Count 1
Rotatable Bond Count 1

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97% <2 Days 872219-20-0 $201.25-$4,597.70$201.25$286.35$457.70$687.70$1,147.70$4,597.70
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