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Home > Boronic Acids > 1256360-08-3
1256360-08-3 | 1H-Pyrrole-1-carboxylic acid, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 2-methylpropyl ester
CAS No: 1256360-08-3 Catalog No: AG000O80 MDL No:MFCD16036146
Product Description
Catalog Number:
AG000O80
Chemical Name:
1H-Pyrrole-1-carboxylic acid, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 2-methylpropyl ester
CAS Number:
1256360-08-3
Molecular Formula:
C15H24BNO4
Molecular Weight:
293.1664
MDL Number:
MFCD16036146
IUPAC Name:
2-methylpropyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole-1-carboxylate
InChI:
InChI=1S/C15H24BNO4/c1-11(2)10-19-13(18)17-8-7-12(9-17)16-20-14(3,4)15(5,6)21-16/h7-9,11H,10H2,1-6H3
InChI Key:
HTEFZJVMSRRGOG-UHFFFAOYSA-N
SMILES:
CC(COC(=O)n1ccc(c1)B1OC(C(O1)(C)C)(C)C)C
Properties
Complexity:
381
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:
4
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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