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Home > Boronic Acids > 850568-38-6

850568-38-6

850568-38-6 | (4-(Methylsulfonamidomethyl)phenyl)boronic acid

CAS No: 850568-38-6 Catalog No: AG004Z7O MDL No:MFCD06659816

Product Description

Catalog Number:
AG004Z7O
Chemical Name:
(4-(Methylsulfonamidomethyl)phenyl)boronic acid
CAS Number:
850568-38-6
Molecular Formula:
C8H12BNO4S
Molecular Weight:
229.0612
MDL Number:
MFCD06659816
IUPAC Name:
[4-(methanesulfonamidomethyl)phenyl]boronic acid
InChI:
InChI=1S/C8H12BNO4S/c1-15(13,14)10-6-7-2-4-8(5-3-7)9(11)12/h2-5,10-12H,6H2,1H3
InChI Key:
DFNWPOUFTMAIGJ-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)CNS(=O)(=O)C)O

Properties

Complexity:
280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.058g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
229.057g/mol
Monoisotopic Mass:
229.058g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
95A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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