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Home > Boronic Acids > 1217501-01-3
1217501-01-3 | Boronic acid, B-[4-(butylsulfinyl)phenyl]-
CAS No: 1217501-01-3 Catalog No: AG0015RN MDL No:MFCD12546548
Product Description
Catalog Number:
AG0015RN
Chemical Name:
Boronic acid, B-[4-(butylsulfinyl)phenyl]-
CAS Number:
1217501-01-3
Molecular Formula:
C10H15BO3S
Molecular Weight:
226.1003
MDL Number:
MFCD12546548
IUPAC Name:
(4-butylsulfinylphenyl)boronic acid
InChI:
InChI=1S/C10H15BO3S/c1-2-3-8-15(14)10-6-4-9(5-7-10)11(12)13/h4-7,12-13H,2-3,8H2,1H3
InChI Key:
DDWMUGQRYZIHOL-UHFFFAOYSA-N
SMILES:
CCCCS(=O)c1ccc(cc1)B(O)O
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.083g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.097g/mol
Monoisotopic Mass:
226.083g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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