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

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

CAS: 1256360-24-3

Formula: C13H18BClO2S

SMILES: CSC1=CC(Cl)=CC(=C1)B1OC(C)(C)C(C)(C)O1

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

InChI: InChI=1S/C13H18BClO2S/c1-12(2)13(3,4)17-14(16-12)9-6-10(15)8-11(7-9)18-5/h6-8H,1-5H3

Composition: C (54.86%), H (6.38%), B (3.80%), Cl (12.46%), O (11.24%), S (11.26%)

Molar Mass: 284.61

Atom Count: 36

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	284.080909
Formal Charge	0
FSP3	0.54
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	NMKTYEZBMMWCFQ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	73.28
Topological Polar Surface Area	18.46
Polarizability	30.75
Ring Count	2
Rotatable Bond Count	2

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