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709648-80-6 | Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);thiophene-2-carboxylate
CAS No: 709648-80-6 Catalog No: AG005Q0M MDL No:MFCD13689007
Product Description
Catalog Number:
AG005Q0M
Chemical Name:
Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);thiophene-2-carboxylate
CAS Number:
709648-80-6
Molecular Formula:
C12H17BO4S
Molecular Weight:
268.1370
MDL Number:
MFCD13689007
IUPAC Name:
methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylate
InChI:
InChI=1S/C12H17BO4S/c1-11(2)12(3,4)17-13(16-11)8-6-9(18-7-8)10(14)15-5/h6-7H,1-5H3
InChI Key:
DEUIVNYKDSXHRP-UHFFFAOYSA-N
SMILES:
COC(=O)c1scc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.094g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.134g/mol
Monoisotopic Mass:
268.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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