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4,4,5,5-tetramethyl-2-(2-methyl-5-trifluoromethanesulfonylphenyl)-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-(2-methyl-5-trifluoromethanesulfonylphenyl)-1,3,2-dioxaborolane

CAS: 1150271-69-4

Formula: C14H18BF3O4S

SMILES: CC1=CC=C(C=C1B1OC(C)(C)C(C)(C)O1)S(=O)(=O)C(F)(F)F

IUPAC: 4,4,5,5-tetramethyl-2-(2-methyl-5-trifluoromethanesulfonylphenyl)-1,3,2-dioxaborolane

InChI: InChI=1S/C14H18BF3O4S/c1-9-6-7-10(23(19,20)14(16,17)18)8-11(9)15-21-12(2,3)13(4,5)22-15/h6-8H,1-5H3

Composition: C (48.02%), H (5.18%), B (3.09%), F (16.28%), O (18.28%), S (9.16%)

Molar Mass: 350.16

Atom Count: 41

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 350.097095
Formal Charge 0
FSP3 0.57
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey YCNPSGDEXSAHSO-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 74.59
Topological Polar Surface Area 52.6
Polarizability 31.1
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
96% <6 Days 1150271-69-4 $626.75-$1,713.50$626.75$1,713.50
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