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Home > Boronic Acids > 1451392-05-4
1451392-05-4 | (4-methoxy-3-(methylthio)phenyl)boronic acid
CAS No: 1451392-05-4 Catalog No: AG01DDY4 MDL No:MFCD22414587
Product Description
Catalog Number:
AG01DDY4
Chemical Name:
(4-methoxy-3-(methylthio)phenyl)boronic acid
CAS Number:
1451392-05-4
Molecular Formula:
C8H11BO3S
Molecular Weight:
198.0471
MDL Number:
MFCD22414587
IUPAC Name:
(4-methoxy-3-methylsulfanylphenyl)boronic acid
InChI:
InChI=1S/C8H11BO3S/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5,10-11H,1-2H3
InChI Key:
JYUPGKVSHWRXLM-UHFFFAOYSA-N
SMILES:
CSc1cc(ccc1OC)B(O)O
Properties
Complexity:
156
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:
75A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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