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Home > Boronic Acids > 1637301-55-3
1637301-55-3 | 3-Thiophenecarboxylic acid, 4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
CAS No: 1637301-55-3 Catalog No: AG001UCC MDL No:MFCD29067583
Product Description
Catalog Number:
AG001UCC
Chemical Name:
3-Thiophenecarboxylic acid, 4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
CAS Number:
1637301-55-3
Molecular Formula:
C13H19BO4S
Molecular Weight:
282.1636
MDL Number:
MFCD29067583
IUPAC Name:
methyl 4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-3-carboxylate
InChI:
InChI=1S/C13H19BO4S/c1-8-9(11(15)16-6)7-19-10(8)14-17-12(2,3)13(4,5)18-14/h7H,1-6H3
InChI Key:
XCCDOHKTQIGIQF-UHFFFAOYSA-N
SMILES:
COC(=O)c1csc(c1C)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
356
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:
3
Topological Polar Surface Area:
73A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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