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Home > Boronic Acids > 553651-31-3
553651-31-3 | 1-Methyl-1H-imidazole-2-boronic acid pinacol ester
CAS No: 553651-31-3 Catalog No: AG00D8SS MDL No:MFCD09834768
Product Description
Catalog Number:
AG00D8SS
Chemical Name:
1-Methyl-1H-imidazole-2-boronic acid pinacol ester
CAS Number:
553651-31-3
Molecular Formula:
C10H17BN2O2
Molecular Weight:
208.0652
MDL Number:
MFCD09834768
IUPAC Name:
1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazole
InChI:
InChI=1S/C10H17BN2O2/c1-9(2)10(3,4)15-11(14-9)8-12-6-7-13(8)5/h6-7H,1-5H3
InChI Key:
PUEBUBYUYPLMLU-UHFFFAOYSA-N
SMILES:
Cn1ccnc1B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.138g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.068g/mol
Monoisotopic Mass:
208.138g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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