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2-(pyrrolidine-1-sulfonyl)phenylboronic acid

2-(pyrrolidine-1-sulfonyl)phenylboronic acid

CAS: 913835-83-3

Formula: C10H14BNO4S

SMILES: OB(O)C1=CC=CC=C1S(=O)(=O)N1CCCC1

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

InChI: InChI=1S/C10H14BNO4S/c13-11(14)9-5-1-2-6-10(9)17(15,16)12-7-3-4-8-12/h1-2,5-6,13-14H,3-4,7-8H2

Composition: C (47.08%), H (5.53%), B (4.24%), N (5.49%), O (25.09%), S (12.57%)

Molar Mass: 255.1

Atom Count: 31

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 255.073659
Formal Charge 0
FSP3 0.4
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey ONRDSHCJDLWHKN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.1
Topological Polar Surface Area 77.84
Polarizability 25.49
Ring Count 2
Rotatable Bond Count 2

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