2-chloro-5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

2-chloro-5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

CAS: 2121513-66-2

Formula: C12H15BClFO3

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

IUPAC: 2-chloro-5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

InChI: InChI=1S/C12H15BClFO3/c1-11(2)12(3,4)18-13(17-11)7-5-8(14)10(16)6-9(7)15/h5-6,16H,1-4H3

Composition: C (52.89%), H (5.55%), B (3.97%), Cl (13.01%), F (6.97%), O (17.61%)

Molar Mass: 272.51

Atom Count: 33

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	272.07868
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	DKEUOOKYCJIPOK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.72
Topological Polar Surface Area	38.69
Polarizability	26.22
Ring Count	2
Rotatable Bond Count	1

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