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Home > Boronic Acids > 1218790-27-2
1218790-27-2 | 1H-Indole-1-carboxylic acid, 6-bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
CAS No: 1218790-27-2 Catalog No: AG001690 MDL No:MFCD15143608
Product Description
Catalog Number:
AG001690
Chemical Name:
1H-Indole-1-carboxylic acid, 6-bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
CAS Number:
1218790-27-2
Molecular Formula:
C19H25BBrNO4
Molecular Weight:
422.1211
MDL Number:
MFCD15143608
IUPAC Name:
tert-butyl 6-bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1-carboxylate
InChI:
InChI=1S/C19H25BBrNO4/c1-17(2,3)24-16(23)22-11-14(13-9-8-12(21)10-15(13)22)20-25-18(4,5)19(6,7)26-20/h8-11H,1-7H3
InChI Key:
CJPYRZSQXVXBHO-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)n(cc2B1OC(C(O1)(C)C)(C)C)C(=O)OC(C)(C)C
Properties
Complexity:
546
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.106g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
422.126g/mol
Monoisotopic Mass:
421.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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