2,6-difluoro-4-hydroxyphenylboronic acid

2,6-difluoro-4-hydroxyphenylboronic acid

CAS: 957065-87-1

Formula: C6H5BF2O3

SMILES: OB(O)C1=C(F)C=C(O)C=C1F

IUPAC: (2,6-difluoro-4-hydroxyphenyl)boronic acid

InChI: InChI=1S/C6H5BF2O3/c8-4-1-3(10)2-5(9)6(4)7(11)12/h1-2,10-12H

Composition: C (41.44%), H (2.90%), B (6.22%), F (21.85%), O (27.60%)

Molar Mass: 173.91

Atom Count: 17

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	174.02998
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
InChIKey	JPAMLWIQHDPWGK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	33.02
Topological Polar Surface Area	60.69
Polarizability	13.75
Ring Count	1
Rotatable Bond Count	1

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