[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol

[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol

CAS: 1314141-37-1

Formula: C13H18BFO3

SMILES: CC1(C)OB(OC1(C)C)C1=CC=C(CO)C=C1F

IUPAC: [3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol

InChI: InChI=1S/C13H18BFO3/c1-12(2)13(3,4)18-14(17-12)10-6-5-9(8-16)7-11(10)15/h5-7,16H,8H2,1-4H3

Composition: C (61.94%), H (7.20%), B (4.29%), F (7.54%), O (19.04%)

Molar Mass: 252.09

Atom Count: 36

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	252.133303
Formal Charge	0
FSP3	0.54
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	JMJGAHCXMCINOI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.75
Topological Polar Surface Area	38.69
Polarizability	26.13
Ring Count	2
Rotatable Bond Count	2

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