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Home > Boronic Acids > 1473358-18-7
1473358-18-7 | 5-Propylthiophene-2-boronic acid pinacol ester
CAS No: 1473358-18-7 Catalog No: AG018Q3K MDL No:MFCD18436112
Product Description
Catalog Number:
AG018Q3K
Chemical Name:
5-Propylthiophene-2-boronic acid pinacol ester
CAS Number:
1473358-18-7
Molecular Formula:
C13H21BO2S
Molecular Weight:
252.1806
MDL Number:
MFCD18436112
IUPAC Name:
4,4,5,5-tetramethyl-2-(5-propylthiophen-2-yl)-1,3,2-dioxaborolane
InChI:
InChI=1S/C13H21BO2S/c1-6-7-10-8-9-11(17-10)14-15-12(2,3)13(4,5)16-14/h8-9H,6-7H2,1-5H3
InChI Key:
XKMQRGFUOWEBLS-UHFFFAOYSA-N
SMILES:
CCCc1ccc(s1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.136g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.179g/mol
Monoisotopic Mass:
252.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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