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Home > Boronic Acids > 166386-48-7
166386-48-7 | Boronic acid, B-[4-(methylsulfinyl)phenyl]-
CAS No: 166386-48-7 Catalog No: AG001WP0 MDL No:MFCD02093071
Product Description
Catalog Number:
AG001WP0
Chemical Name:
Boronic acid, B-[4-(methylsulfinyl)phenyl]-
CAS Number:
166386-48-7
Molecular Formula:
C7H9BO3S
Molecular Weight:
184.0206
MDL Number:
MFCD02093071
IUPAC Name:
(4-methylsulfinylphenyl)boronic acid
InChI:
InChI=1S/C7H9BO3S/c1-12(11)7-4-2-6(3-5-7)8(9)10/h2-5,9-10H,1H3
InChI Key:
YOTGALZTDVXUKZ-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)S(=O)C)O
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.037g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
184.016g/mol
Monoisotopic Mass:
184.037g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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