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3-chloro-4-[(2-fluorophenyl)methoxy]phenylboronic acid

3-chloro-4-[(2-fluorophenyl)methoxy]phenylboronic acid

CAS: 870777-28-9

Formula: C13H11BClFO3

SMILES: OB(O)C1=CC=C(OCC2=CC=CC=C2F)C(Cl)=C1

IUPAC: {3-chloro-4-[(2-fluorophenyl)methoxy]phenyl}boronic acid

InChI: InChI=1S/C13H11BClFO3/c15-11-7-10(14(17)18)5-6-13(11)19-8-9-3-1-2-4-12(9)16/h1-7,17-18H,8H2

Composition: C (55.67%), H (3.95%), B (3.85%), Cl (12.64%), F (6.77%), O (17.11%)

Molar Mass: 280.49

Atom Count: 30

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 280.04738
Formal Charge 0
FSP3 0.08
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey YDPXKZJRODTNBZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.7
Topological Polar Surface Area 49.69
Polarizability 27.23
Ring Count 2
Rotatable Bond Count 4

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