2,5-difluoro-4-methoxyphenylboronic acid

2,5-difluoro-4-methoxyphenylboronic acid

CAS: 897958-93-9

Formula: C7H7BF2O3

SMILES: COC1=CC(F)=C(C=C1F)B(O)O

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

InChI: InChI=1S/C7H7BF2O3/c1-13-7-3-5(9)4(8(11)12)2-6(7)10/h2-3,11-12H,1H3

Composition: C (44.74%), H (3.75%), B (5.75%), F (20.22%), O (25.54%)

Molar Mass: 187.94

Atom Count: 20

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	188.04563
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	BRMUXDWCSVTVPQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	37.5
Topological Polar Surface Area	49.69
Polarizability	15.6
Ring Count	1
Rotatable Bond Count	2

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