2-methyl-5-(pyrrolidine-1-sulfonyl)phenylboronic acid

2-methyl-5-(pyrrolidine-1-sulfonyl)phenylboronic acid

CAS: 871333-01-6

Formula: C11H16BNO4S

SMILES: CC1=CC=C(C=C1B(O)O)S(=O)(=O)N1CCCC1

IUPAC: [2-methyl-5-(pyrrolidine-1-sulfonyl)phenyl]boronic acid

InChI: InChI=1S/C11H16BNO4S/c1-9-4-5-10(8-11(9)12(14)15)18(16,17)13-6-2-3-7-13/h4-5,8,14-15H,2-3,6-7H2,1H3

Composition: C (49.09%), H (5.99%), B (4.02%), N (5.20%), O (23.78%), S (11.91%)

Molar Mass: 269.12

Atom Count: 34

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	269.089309
Formal Charge	0
FSP3	0.45
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	IWOBOEZYVVBMGG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.14
Topological Polar Surface Area	77.84
Polarizability	27.24
Ring Count	2
Rotatable Bond Count	2

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