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Home > Boronic Acids > 1256358-96-9
1256358-96-9 | 5-Methoxycarbonylindole-2-boronic acid pinacol ester
CAS No: 1256358-96-9 Catalog No: AG009IPG MDL No:MFCD11858383
Product Description
Catalog Number:
AG009IPG
Chemical Name:
5-Methoxycarbonylindole-2-boronic acid pinacol ester
CAS Number:
1256358-96-9
Molecular Formula:
C16H20BNO4
Molecular Weight:
301.1453
MDL Number:
MFCD11858383
IUPAC Name:
methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-5-carboxylate
InChI:
InChI=1S/C16H20BNO4/c1-15(2)16(3,4)22-17(21-15)13-9-11-8-10(14(19)20-5)6-7-12(11)18-13/h6-9,18H,1-5H3
InChI Key:
AETVWKXUGGMYGA-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)cc([nH]2)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.149g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.149g/mol
Monoisotopic Mass:
301.149g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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