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Home > Boronic Acids > 128312-11-8
128312-11-8 | Boronic acid, B-[3-(methylthio)phenyl]-
CAS No: 128312-11-8 Catalog No: AG000XYI MDL No:MFCD01319105
Product Description
Catalog Number:
AG000XYI
Chemical Name:
Boronic acid, B-[3-(methylthio)phenyl]-
CAS Number:
128312-11-8
Molecular Formula:
C7H9BO2S
Molecular Weight:
168.0212
MDL Number:
MFCD01319105
IUPAC Name:
(3-methylsulfanylphenyl)boronic acid
InChI:
InChI=1S/C7H9BO2S/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5,9-10H,1H3
InChI Key:
TYVPOLHSKGEXIH-UHFFFAOYSA-N
SMILES:
CSc1cccc(c1)B(O)O
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.042g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
168.017g/mol
Monoisotopic Mass:
168.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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