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Home > Boronic Acids > 919119-64-5
919119-64-5 | 1H-Indole-2-carboxylic acid,5-methoxy-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ethyl ester
CAS No: 919119-64-5 Catalog No: AG006KNI MDL No:
Product Description
Catalog Number:
AG006KNI
Chemical Name:
1H-Indole-2-carboxylic acid,5-methoxy-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ethyl ester
CAS Number:
919119-64-5
Molecular Formula:
C18H24BNO5
Molecular Weight:
345.1979
IUPAC Name:
ethyl 5-methoxy-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-2-carboxylate
InChI:
InChI=1S/C18H24BNO5/c1-7-23-16(21)14-9-11-8-12(22-6)10-13(15(11)20-14)19-24-17(2,3)18(4,5)25-19/h8-10,20H,7H2,1-6H3
InChI Key:
KGSVNWHVELNVAF-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2c([nH]1)c(cc(c2)OC)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
496
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.175g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
345.202g/mol
Monoisotopic Mass:
345.175g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
69.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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