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3-methanesulfonamidophenylboronic acid

3-methanesulfonamidophenylboronic acid

CAS: 148355-75-3

Formula: C7H10BNO4S

SMILES: CS(=O)(=O)NC1=CC(=CC=C1)B(O)O

IUPAC: (3-methanesulfonamidophenyl)boronic acid

InChI: InChI=1S/C7H10BNO4S/c1-14(12,13)9-7-4-2-3-6(5-7)8(10)11/h2-5,9-11H,1H3

Composition: C (39.10%), H (4.69%), B (5.03%), N (6.51%), O (29.76%), S (14.91%)

Molar Mass: 215.03

Atom Count: 24

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 215.042359
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey XUIQQIRLFMCWLN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.29
Topological Polar Surface Area 86.63
Polarizability 20.74
Ring Count 1
Rotatable Bond Count 2

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