4-methanesulfonylphenylboronic acid

4-methanesulfonylphenylboronic acid

CAS: 149104-88-1

Formula: C7H9BO4S

SMILES: CS(=O)(=O)C1=CC=C(C=C1)B(O)O

IUPAC: (4-methanesulfonylphenyl)boronic acid

InChI: InChI=1S/C7H9BO4S/c1-13(11,12)7-4-2-6(3-5-7)8(9)10/h2-5,9-10H,1H3

Composition: C (42.04%), H (4.54%), B (5.40%), O (32.00%), S (16.03%)

Molar Mass: 200.02

Atom Count: 22

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	200.03146
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	VDUKDQTYMWUSAC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.61
Topological Polar Surface Area	74.6
Polarizability	19.55
Ring Count	1
Rotatable Bond Count	2

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