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Home > Boronic Acids > 1256360-02-7
1256360-02-7 | 1H-Indole-1,7-dicarboxylic acid, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1-(1,1-dimethylethyl) 7-methyl ester
CAS No: 1256360-02-7 Catalog No: AG000O6R MDL No:MFCD16295116
Product Description
Catalog Number:
AG000O6R
Chemical Name:
1H-Indole-1,7-dicarboxylic acid, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1-(1,1-dimethylethyl) 7-methyl ester
CAS Number:
1256360-02-7
Molecular Formula:
C21H28BNO6
Molecular Weight:
401.2611
MDL Number:
MFCD16295116
IUPAC Name:
1-O-tert-butyl 7-O-methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1,7-dicarboxylate
InChI:
InChI=1S/C21H28BNO6/c1-19(2,3)27-18(25)23-12-15(22-28-20(4,5)21(6,7)29-22)13-10-9-11-14(16(13)23)17(24)26-8/h9-12H,1-8H3
InChI Key:
RHAYTFMMPLYQOL-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc2c1n(cc2B1OC(C(O1)(C)C)(C)C)C(=O)OC(C)(C)C
Properties
Complexity:
642
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
401.201g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
401.266g/mol
Monoisotopic Mass:
401.201g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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