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Home > Boronic Acids > 1367830-46-3
1367830-46-3 | 1H-Pyrrole-2-carboxylic acid, 1-(1-methylethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
CAS No: 1367830-46-3 Catalog No: AG0012CI MDL No:
Product Description
Catalog Number:
AG0012CI
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 1-(1-methylethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
CAS Number:
1367830-46-3
Molecular Formula:
C15H24BNO4
Molecular Weight:
293.1664
IUPAC Name:
methyl 1-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole-2-carboxylate
InChI:
InChI=1S/C15H24BNO4/c1-10(2)17-9-11(8-12(17)13(18)19-7)16-20-14(3,4)15(5,6)21-16/h8-10H,1-7H3
InChI Key:
DNIYKGPBTBHFPL-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(cn1C(C)C)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
395
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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