2-(5-bromo-4-methylthiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(5-bromo-4-methylthiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

CAS: 1111095-99-8

Formula: C11H16BBrO2S

SMILES: CC1=C(Br)SC(=C1)B1OC(C)(C)C(C)(C)O1

IUPAC: 2-(5-bromo-4-methylthiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

InChI: InChI=1S/C11H16BBrO2S/c1-7-6-8(16-9(7)13)12-14-10(2,3)11(4,5)15-12/h6H,1-5H3

Composition: C (43.60%), H (5.32%), B (3.57%), Br (26.37%), O (10.56%), S (10.58%)

Molar Mass: 303.02

Atom Count: 32

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	302.014744
Formal Charge	0
FSP3	0.64
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	BHDPHFRKQRKEPW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.8
Topological Polar Surface Area	18.46
Polarizability	27.28
Ring Count	2
Rotatable Bond Count	1

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