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Home > Boronic Acids > 1235545-46-6
1235545-46-6 | Methyl 5-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylate
CAS No: 1235545-46-6 Catalog No: AG00HHC4 MDL No:MFCD18427549
Product Description
Catalog Number:
AG00HHC4
Chemical Name:
Methyl 5-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylate
CAS Number:
1235545-46-6
Molecular Formula:
C14H21BO4S
Molecular Weight:
296.1901
MDL Number:
MFCD18427549
IUPAC Name:
methyl 5-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylate
InChI:
InChI=1S/C14H21BO4S/c1-7-10-9(8-11(20-10)12(16)17-6)15-18-13(2,3)14(4,5)19-15/h8H,7H2,1-6H3
InChI Key:
BBQFOKPYRYUXTP-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(c(s1)CC)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.125g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.188g/mol
Monoisotopic Mass:
296.125g/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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