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

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

CAS: 2098632-65-4

Formula: C13H15BClF3O3

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

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

InChI: InChI=1S/C13H15BClF3O3/c1-11(2)12(3,4)21-14(20-11)8-5-6-9(15)10(7-8)19-13(16,17)18/h5-7H,1-4H3

Composition: C (48.41%), H (4.69%), B (3.35%), Cl (10.99%), F (17.67%), O (14.88%)

Molar Mass: 322.52

Atom Count: 36

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	322.075487
Formal Charge	0
FSP3	0.54
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	QISLQVXIWYBENQ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	63.59
Topological Polar Surface Area	27.69
Polarizability	27.81
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	2098632-65-4		$356.86-$1,388.36$356.86$571.23$1,388.36