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Home > Boronic Acids > 1025707-92-9
1025707-92-9 | 1H-Indole-1-carboxylic acid, 3-formyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
CAS No: 1025707-92-9 Catalog No: AG0007QS MDL No:MFCD07364063
Product Description
Catalog Number:
AG0007QS
Chemical Name:
1H-Indole-1-carboxylic acid, 3-formyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
CAS Number:
1025707-92-9
Molecular Formula:
C20H26BNO5
Molecular Weight:
371.2351
MDL Number:
MFCD07364063
IUPAC Name:
tert-butyl 3-formyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1-carboxylate
InChI:
InChI=1S/C20H26BNO5/c1-18(2,3)25-17(24)22-11-13(12-23)15-10-14(8-9-16(15)22)21-26-19(4,5)20(6,7)27-21/h8-12H,1-7H3
InChI Key:
JESCSZOSDNZDNX-UHFFFAOYSA-N
SMILES:
O=Cc1cn(c2c1cc(cc2)B1OC(C(O1)(C)C)(C)C)C(=O)OC(C)(C)C
Properties
Complexity:
584
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.19g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
371.24g/mol
Monoisotopic Mass:
371.19g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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