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Home > Boronic Acids > 1185427-07-9
1185427-07-9 | tert-Butyl 5-cyano-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);-1H-indole-1-carboxylate
CAS No: 1185427-07-9 Catalog No: AG003E25 MDL No:MFCD15143604
Product Description
Catalog Number:
AG003E25
Chemical Name:
tert-Butyl 5-cyano-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);-1H-indole-1-carboxylate
CAS Number:
1185427-07-9
Molecular Formula:
C20H25BN2O4
Molecular Weight:
368.2345
MDL Number:
MFCD15143604
IUPAC Name:
tert-butyl 5-cyano-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1-carboxylate
InChI:
InChI=1S/C20H25BN2O4/c1-18(2,3)25-17(24)23-12-15(14-10-13(11-22)8-9-16(14)23)21-26-19(4,5)20(6,7)27-21/h8-10,12H,1-7H3
InChI Key:
QNZAWXNUNJJATF-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)c(cn2C(=O)OC(C)(C)C)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
632
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.191g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.24g/mol
Monoisotopic Mass:
368.191g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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