2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid

2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid

CAS: 1373168-89-8

Formula: C13H16BFO4

SMILES: CC1(C)OB(OC1(C)C)C1=C(F)C(=CC=C1)C(O)=O

IUPAC: 2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid

InChI: InChI=1S/C13H16BFO4/c1-12(2)13(3,4)19-14(18-12)9-7-5-6-8(10(9)15)11(16)17/h5-7H,1-4H3,(H,16,17)

Composition: C (58.68%), H (6.06%), B (4.06%), F (7.14%), O (24.05%)

Molar Mass: 266.08

Atom Count: 35

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	266.112567
Formal Charge	0
FSP3	0.46
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	WVKOYVWFDCAHKF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.19
Topological Polar Surface Area	55.76
Polarizability	26.05
Ring Count	2
Rotatable Bond Count	2

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