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Home > Boronic Acids > 1021918-86-4
1021918-86-4 | 1H-BenziMidazole-1-carboxylic acid, 5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-diMethylethyl ester
CAS No: 1021918-86-4 Catalog No: AG0006UB MDL No:MFCD24038762
Product Description
Catalog Number:
AG0006UB
Chemical Name:
1H-BenziMidazole-1-carboxylic acid, 5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-diMethylethyl ester
CAS Number:
1021918-86-4
Molecular Formula:
C18H25BN2O4
Molecular Weight:
344.2131
MDL Number:
MFCD24038762
IUPAC Name:
tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole-1-carboxylate
InChI:
InChI=1S/C18H25BN2O4/c1-16(2,3)23-15(22)21-11-20-13-10-12(8-9-14(13)21)19-24-17(4,5)18(6,7)25-19/h8-11H,1-7H3
InChI Key:
RPBPVRDAROETEF-UHFFFAOYSA-N
SMILES:
O=C(n1cnc2c1ccc(c2)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Properties
Complexity:
516
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.191g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.218g/mol
Monoisotopic Mass:
344.191g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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