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Home > Boronic Acids > 1627722-90-0
1627722-90-0 | 8-Quinolinecarboxylic acid, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
CAS No: 1627722-90-0 Catalog No: AG001TEP MDL No:
Product Description
Catalog Number:
AG001TEP
Chemical Name:
8-Quinolinecarboxylic acid, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
CAS Number:
1627722-90-0
Molecular Formula:
C17H20BNO4
Molecular Weight:
313.1560
IUPAC Name:
methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline-8-carboxylate
InChI:
InChI=1S/C17H20BNO4/c1-16(2)17(3,4)23-18(22-16)13-9-8-12(15(20)21-5)14-11(13)7-6-10-19-14/h6-10H,1-5H3
InChI Key:
UMWQESYBUOYDQT-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c2c1nccc2)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.149g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.16g/mol
Monoisotopic Mass:
313.149g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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