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Home > Boronic Acids > 1207557-61-6
1207557-61-6 | 5-(Ethoxycarbonyl)thiophene-3-boronic acid pinacol ester
CAS No: 1207557-61-6 Catalog No: AG00HFQE MDL No:MFCD12198151
Product Description
Catalog Number:
AG00HFQE
Chemical Name:
5-(Ethoxycarbonyl)thiophene-3-boronic acid pinacol ester
CAS Number:
1207557-61-6
Molecular Formula:
C13H19BO4S
Molecular Weight:
282.1636
MDL Number:
MFCD12198151
IUPAC Name:
ethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylate
InChI:
InChI=1S/C13H19BO4S/c1-6-16-11(15)10-7-9(8-19-10)14-17-12(2,3)13(4,5)18-14/h7-8H,6H2,1-5H3
InChI Key:
DIZXCRFTIVBVBE-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1scc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.11g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.161g/mol
Monoisotopic Mass:
282.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
73A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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