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Home > Boronic Acids > 1346808-87-4
1346808-87-4 | tert-Butyl 3-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);-1H-indazole-1-carboxylate
CAS No: 1346808-87-4 Catalog No: AG00HTRE MDL No:
Product Description
Catalog Number:
AG00HTRE
Chemical Name:
tert-Butyl 3-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);-1H-indazole-1-carboxylate
CAS Number:
1346808-87-4
Molecular Formula:
C20H29BN2O4
Molecular Weight:
372.2663
IUPAC Name:
tert-butyl 3-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate
InChI:
InChI=1S/C20H29BN2O4/c1-9-15-14-12-13(21-26-19(5,6)20(7,8)27-21)10-11-16(14)23(22-15)17(24)25-18(2,3)4/h10-12H,9H2,1-8H3
InChI Key:
MRRVZVMFWXCFIQ-UHFFFAOYSA-N
SMILES:
CCc1nn(c2c1cc(cc2)B1OC(C(O1)(C)C)(C)C)C(=O)OC(C)(C)C
Properties
Complexity:
559
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.222g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
372.272g/mol
Monoisotopic Mass:
372.222g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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