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Home > Boronic Acids > 947191-20-0
947191-20-0 | Ethyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole-3-carboxylate
CAS No: 947191-20-0 Catalog No: AG005VQ9 MDL No:MFCD11617921
Product Description
Catalog Number:
AG005VQ9
Chemical Name:
Ethyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole-3-carboxylate
CAS Number:
947191-20-0
Molecular Formula:
C16H21BN2O4
Molecular Weight:
316.1599
MDL Number:
MFCD11617921
IUPAC Name:
ethyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole-3-carboxylate
InChI:
InChI=1S/C16H21BN2O4/c1-6-21-14(20)13-11-8-7-10(9-12(11)18-19-13)17-22-15(2,3)16(4,5)23-17/h7-9H,6H2,1-5H3,(H,18,19)
InChI Key:
MHQAUOWKFQERAD-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1n[nH]c2c1ccc(c2)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.159g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.164g/mol
Monoisotopic Mass:
316.159g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
73.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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