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Home > Boronic Acids > 953410-99-6
953410-99-6 | 5-Formylbenzo[b]thiophene-2-boronic acid pinacol ester
CAS No: 953410-99-6 Catalog No: AG018Q3O MDL No:MFCD07368240
Product Description
Catalog Number:
AG018Q3O
Chemical Name:
5-Formylbenzo[b]thiophene-2-boronic acid pinacol ester
CAS Number:
953410-99-6
Molecular Formula:
C15H17BO3S
Molecular Weight:
288.1697
MDL Number:
MFCD07368240
IUPAC Name:
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzothiophene-5-carbaldehyde
InChI:
InChI=1S/C15H17BO3S/c1-14(2)15(3,4)19-16(18-14)13-8-11-7-10(9-17)5-6-12(11)20-13/h5-9H,1-4H3
InChI Key:
ZHGWYHIXAPDOAP-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1)cc(s2)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.099g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.168g/mol
Monoisotopic Mass:
288.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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