3-hydroxy-2,3-dimethylbutan-2-yl hydrogen 2-fluoro-4-(methylsulfanyl)phenylboronate

3-hydroxy-2,3-dimethylbutan-2-yl hydrogen 2-fluoro-4-(methylsulfanyl)phenylboronate

CAS: 1436431-16-1

Formula: C13H20BFO3S

SMILES: CSC1=CC=C(B(O)OC(C)(C)C(C)(C)O)C(F)=C1

IUPAC: 3-hydroxy-2,3-dimethylbutan-2-yl hydrogen [2-fluoro-4-(methylsulfanyl)phenyl]boronate

InChI: InChI=1S/C13H20BFO3S/c1-12(2,16)13(3,4)18-14(17)10-7-6-9(19-5)8-11(10)15/h6-8,16-17H,1-5H3

Composition: C (54.56%), H (7.04%), B (3.78%), F (6.64%), O (16.77%), S (11.20%)

Molar Mass: 286.17

Atom Count: 39

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	286.121024
Formal Charge	0
FSP3	0.54
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	PJSXCJCKNYTWRZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.47
Topological Polar Surface Area	49.69
Polarizability	29.83
Ring Count	1
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<5 Days	1436431-16-1		$40.35-$179.06$40.35$68.09$179.06