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Home > Boronic Acids > 1072944-98-9
1072944-98-9 | tert-Butyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);-1H-pyrrole-1-carboxylate
CAS No: 1072944-98-9 Catalog No: AG007ESJ MDL No:MFCD11504960
Product Description
Catalog Number:
AG007ESJ
Chemical Name:
tert-Butyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);-1H-pyrrole-1-carboxylate
CAS Number:
1072944-98-9
Molecular Formula:
C15H24BNO4
Molecular Weight:
293.1664
MDL Number:
MFCD11504960
IUPAC Name:
tert-butyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole-1-carboxylate
InChI:
InChI=1S/C15H24BNO4/c1-13(2,3)19-12(18)17-10-8-9-11(17)16-20-14(4,5)15(6,7)21-16/h8-10H,1-7H3
InChI Key:
DZQURIUJAGTAFW-UHFFFAOYSA-N
SMILES:
O=C(n1cccc1B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.18g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.17g/mol
Monoisotopic Mass:
293.18g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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