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4-methanesulfonyl-3-methylphenylboronic acid

4-methanesulfonyl-3-methylphenylboronic acid

CAS: 1598437-51-4

Formula: C8H11BO4S

SMILES: CC1=CC(=CC=C1S(C)(=O)=O)B(O)O

IUPAC: (4-methanesulfonyl-3-methylphenyl)boronic acid

InChI: InChI=1S/C8H11BO4S/c1-6-5-7(9(10)11)3-4-8(6)14(2,12)13/h3-5,10-11H,1-2H3

Composition: C (44.89%), H (5.18%), B (5.05%), O (29.90%), S (14.98%)

Molar Mass: 214.04

Atom Count: 25

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 214.04711
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey MNXHZJUIACFVQC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.65
Topological Polar Surface Area 74.6
Polarizability 21.31
Ring Count 1
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
98% <5 Days 1598437-51-4 $39.09-$174.02$39.09$68.09$174.02
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