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Home > Boronic Acids > 197223-36-2
197223-36-2 | Boronic acid, B-(2,3,5,6-tetramethylphenyl)-
CAS No: 197223-36-2 Catalog No: AG002AOF MDL No:MFCD03093882
Product Description
Catalog Number:
AG002AOF
Chemical Name:
Boronic acid, B-(2,3,5,6-tetramethylphenyl)-
CAS Number:
197223-36-2
Molecular Formula:
C10H15BO2
Molecular Weight:
178.0359
MDL Number:
MFCD03093882
IUPAC Name:
(2,3,5,6-tetramethylphenyl)boronic acid
InChI:
InChI=1S/C10H15BO2/c1-6-5-7(2)9(4)10(8(6)3)11(12)13/h5,12-13H,1-4H3
InChI Key:
BCMVUEOVWMZJBS-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c(c1C)B(O)O)C
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.117g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
178.038g/mol
Monoisotopic Mass:
178.117g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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