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2-bromo-3-fluoropyridin-4-ylboronic acid

2-bromo-3-fluoropyridin-4-ylboronic acid

CAS: 2096338-76-8

Formula: C5H4BBrFNO2

SMILES: OB(O)C1=CC=NC(Br)=C1F

IUPAC: (2-bromo-3-fluoropyridin-4-yl)boronic acid

InChI: InChI=1S/C5H4BBrFNO2/c7-5-4(8)3(6(10)11)1-2-9-5/h1-2,10-11H

Composition: C (27.32%), H (1.83%), B (4.92%), Br (36.35%), F (8.64%), N (6.37%), O (14.56%)

Molar Mass: 219.8

Atom Count: 15

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 218.95025
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey IWOCBRCHUQDPLK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 37.13
Topological Polar Surface Area 53.35
Polarizability 15.54
Ring Count 1
Rotatable Bond Count 1

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