2-[5-chloro-2-methyl-4-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[5-chloro-2-methyl-4-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

CAS: 1073353-97-5

Formula: C14H17BClF3O2

SMILES: CC1=CC(=C(Cl)C=C1B1OC(C)(C)C(C)(C)O1)C(F)(F)F

IUPAC: 2-[5-chloro-2-methyl-4-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

InChI: InChI=1S/C14H17BClF3O2/c1-8-6-9(14(17,18)19)11(16)7-10(8)15-20-12(2,3)13(4,5)21-15/h6-7H,1-5H3

Composition: C (52.46%), H (5.35%), B (3.37%), Cl (11.06%), F (17.78%), O (9.98%)

Molar Mass: 320.54

Atom Count: 38

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	320.096222
Formal Charge	0
FSP3	0.57
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	IGAWSWOTIHQGHP-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	71.53
Topological Polar Surface Area	18.46
Polarizability	28.76
Ring Count	2
Rotatable Bond Count	2

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