2-(3-chloro-5-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(3-chloro-5-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

CAS: 1245524-02-0

Formula: C12H15BClFO2

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

IUPAC: 2-(3-chloro-5-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

InChI: InChI=1S/C12H15BClFO2/c1-11(2)12(3,4)17-13(16-11)8-5-9(14)7-10(15)6-8/h5-7H,1-4H3

Composition: C (56.19%), H (5.89%), B (4.21%), Cl (13.82%), F (7.41%), O (12.47%)

Molar Mass: 256.51

Atom Count: 32

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	256.083766
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	ZYWCNKHMEUXNGS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.73
Topological Polar Surface Area	18.46
Polarizability	25.56
Ring Count	2
Rotatable Bond Count	1

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