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Home > Boronic Acids > 1220418-81-4
1220418-81-4 | Methyl 6-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)quinoline-3-carboxylate
CAS No: 1220418-81-4 Catalog No: AG009WV6 MDL No:MFCD18427662
Product Description
Catalog Number:
AG009WV6
Chemical Name:
Methyl 6-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)quinoline-3-carboxylate
CAS Number:
1220418-81-4
Molecular Formula:
C17H20BNO4
Molecular Weight:
313.1560
MDL Number:
MFCD18427662
IUPAC Name:
methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline-3-carboxylate
InChI:
InChI=1S/C17H20BNO4/c1-16(2)17(3,4)23-18(22-16)13-6-7-14-11(9-13)8-12(10-19-14)15(20)21-5/h6-10H,1-5H3
InChI Key:
ZCAZNFZFHJVJGE-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc2c(c1)cc(cc2)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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