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Home > Boronic Acids > 869852-13-1
869852-13-1 | tert-butyl 3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate
CAS No: 869852-13-1 Catalog No: AG00H3PF MDL No:MFCD18383202
Product Description
Catalog Number:
AG00H3PF
Chemical Name:
tert-butyl 3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate
CAS Number:
869852-13-1
Molecular Formula:
C20H28BNO4
Molecular Weight:
357.2516
MDL Number:
MFCD18383202
IUPAC Name:
tert-butyl 3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1-carboxylate
InChI:
InChI=1S/C20H28BNO4/c1-13-14-11-9-10-12-15(14)22(17(23)24-18(2,3)4)16(13)21-25-19(5,6)20(7,8)26-21/h9-12H,1-8H3
InChI Key:
XYUZBXNCRMPFHN-UHFFFAOYSA-N
SMILES:
Cc1c(B2OC(C(O2)(C)C)(C)C)n(c2c1cccc2)C(=O)OC(C)(C)C
Properties
Complexity:
541
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.211g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
357.257g/mol
Monoisotopic Mass:
357.211g/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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