2-[4-bromo-2-fluoro-5-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[4-bromo-2-fluoro-5-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

CAS: 2096337-75-4

Formula: C13H14BBrF4O2

SMILES: CC1(C)OB(OC1(C)C)C1=C(F)C=C(Br)C(=C1)C(F)(F)F

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

InChI: InChI=1S/C13H14BBrF4O2/c1-11(2)12(3,4)21-14(20-11)8-5-7(13(17,18)19)9(15)6-10(8)16/h5-6H,1-4H3

Composition: C (42.32%), H (3.82%), B (2.93%), Br (21.66%), F (20.60%), O (8.67%)

Molar Mass: 368.96

Atom Count: 35

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	368.020635
Formal Charge	0
FSP3	0.54
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	OMJWHTOKPXUEAI-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	69.53
Topological Polar Surface Area	18.46
Polarizability	27.95
Ring Count	2
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<5 Days	2096337-75-4		$90.79-$809.56$90.79$225.72$809.56