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Home > Boronic Acids > 444722-03-6
444722-03-6 | Boronic acid, [2-methyl-4-(methylthio)phenyl]-
CAS No: 444722-03-6 Catalog No: AG00I8FJ MDL No:
Product Description
Catalog Number:
AG00I8FJ
Chemical Name:
Boronic acid, [2-methyl-4-(methylthio)phenyl]-
CAS Number:
444722-03-6
IUPAC Name:
(2-methyl-4-methylsulfanylphenyl)boronic acid
InChI:
InChI=1S/C8H11BO2S/c1-6-5-7(12-2)3-4-8(6)9(10)11/h3-5,10-11H,1-2H3
InChI Key:
HVNDQDBZHJIHLK-UHFFFAOYSA-N
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.057g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
182.044g/mol
Monoisotopic Mass:
182.057g/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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