4-(3-methylbutanesulfonyl)phenylboronic acid

4-(3-methylbutanesulfonyl)phenylboronic acid

CAS: 1217500-93-0

Formula: C11H17BO4S

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

IUPAC: [4-(3-methylbutanesulfonyl)phenyl]boronic acid

InChI: InChI=1S/C11H17BO4S/c1-9(2)7-8-17(15,16)11-5-3-10(4-6-11)12(13)14/h3-6,9,13-14H,7-8H2,1-2H3

Composition: C (51.58%), H (6.69%), B (4.22%), O (24.99%), S (12.52%)

Molar Mass: 256.12

Atom Count: 34

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	256.09406
Formal Charge	0
FSP3	0.45
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	KKKVMNLHOXHWHZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.95
Topological Polar Surface Area	74.6
Polarizability	26.89
Ring Count	1
Rotatable Bond Count	5

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