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Home > Boronic Acids > 1072952-07-8
1072952-07-8 | (3-(Ethylsulfinyl);phenyl);boronic acid
CAS No: 1072952-07-8 Catalog No: AG003BQ5 MDL No:MFCD03092933
Product Description
Catalog Number:
AG003BQ5
Chemical Name:
(3-(Ethylsulfinyl);phenyl);boronic acid
CAS Number:
1072952-07-8
Molecular Formula:
C8H11BO3S
Molecular Weight:
198.0471
MDL Number:
MFCD03092933
IUPAC Name:
(3-ethylsulfinylphenyl)boronic acid
InChI:
InChI=1S/C8H11BO3S/c1-2-13(12)8-5-3-4-7(6-8)9(10)11/h3-6,10-11H,2H2,1H3
InChI Key:
DHBFKULBTXMUOK-UHFFFAOYSA-N
SMILES:
CCS(=O)c1cccc(c1)B(O)O
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.052g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
198.043g/mol
Monoisotopic Mass:
198.052g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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