3-butoxy-2,6-difluorophenylboronic acid

3-butoxy-2,6-difluorophenylboronic acid

CAS: 849062-15-3

Formula: C10H13BF2O3

SMILES: CCCCOC1=CC=C(F)C(B(O)O)=C1F

IUPAC: (3-butoxy-2,6-difluorophenyl)boronic acid

InChI: InChI=1S/C10H13BF2O3/c1-2-3-6-16-8-5-4-7(12)9(10(8)13)11(14)15/h4-5,14-15H,2-3,6H2,1H3

Composition: C (52.22%), H (5.70%), B (4.70%), F (16.52%), O (20.87%)

Molar Mass: 230.02

Atom Count: 29

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	230.092581
Formal Charge	0
FSP3	0.4
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	LWJYMUNYLKIETN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.37
Topological Polar Surface Area	49.69
Polarizability	21.03
Ring Count	1
Rotatable Bond Count	5

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