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2-[(2-methoxyphenyl)methoxy]phenylboronic acid

2-[(2-methoxyphenyl)methoxy]phenylboronic acid

CAS: 871125-76-7

Formula: C14H15BO4

SMILES: COC1=CC=CC=C1COC1=CC=CC=C1B(O)O

IUPAC: {2-[(2-methoxyphenyl)methoxy]phenyl}boronic acid

InChI: InChI=1S/C14H15BO4/c1-18-13-8-4-2-6-11(13)10-19-14-9-5-3-7-12(14)15(16)17/h2-9,16-17H,10H2,1H3

Composition: C (65.16%), H (5.86%), B (4.19%), O (24.80%)

Molar Mass: 258.08

Atom Count: 34

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 258.106339
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey ITEPOAZWOBVBEG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.14
Topological Polar Surface Area 58.92
Polarizability 28.16
Ring Count 2
Rotatable Bond Count 5

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