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4-methoxy-3-(pyrrolidine-1-sulfonyl)phenylboronic acid

4-methoxy-3-(pyrrolidine-1-sulfonyl)phenylboronic acid

CAS: 874219-52-0

Formula: C11H16BNO5S

SMILES: COC1=CC=C(C=C1S(=O)(=O)N1CCCC1)B(O)O

IUPAC: [4-methoxy-3-(pyrrolidine-1-sulfonyl)phenyl]boronic acid

InChI: InChI=1S/C11H16BNO5S/c1-18-10-5-4-9(12(14)15)8-11(10)19(16,17)13-6-2-3-7-13/h4-5,8,14-15H,2-3,6-7H2,1H3

Composition: C (46.34%), H (5.66%), B (3.79%), N (4.91%), O (28.06%), S (11.24%)

Molar Mass: 285.12

Atom Count: 35

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 285.084224
Formal Charge 0
FSP3 0.45
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey CMUQRJVOEZOCJL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.56
Topological Polar Surface Area 87.07
Polarizability 28.03
Ring Count 2
Rotatable Bond Count 3

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