4-Methyl-3-nitrophenylboronic acid pinacol ester


Chemical Name: 4-Methyl-3-nitrophenylboronic acid pinacol ester
CAS Number: 1072945-06-2
Product Number: AG008SIR(AGN-PC-0WAAKE)
Synonyms:
MDL No:
Molecular Formula: C13H18BNO4
Molecular Weight: 263.0973

Identification/Properties


Computed Properties
Molecular Weight:
263.1g/mol
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
263.133g/mol
Monoisotopic Mass:
263.133g/mol
Topological Polar Surface Area:
64.3A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
350
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


Other Analytical Data


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