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Home > Boronic Acids > 579503-59-6
579503-59-6 | 5'-HEXYL-2,2'-BITHIOPHENE-5-BORONIC ACID PINACOL ESTER, 97%
CAS No: 579503-59-6 Catalog No: AG00EFTN MDL No:MFCD05664380
Product Description
Catalog Number:
AG00EFTN
Chemical Name:
5'-HEXYL-2,2'-BITHIOPHENE-5-BORONIC ACID PINACOL ESTER, 97%
CAS Number:
579503-59-6
Molecular Formula:
C20H29BO2S2
Molecular Weight:
376.3841
MDL Number:
MFCD05664380
IUPAC Name:
2-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C20H29BO2S2/c1-6-7-8-9-10-15-11-12-16(24-15)17-13-14-18(25-17)21-22-19(2,3)20(4,5)23-21/h11-14H,6-10H2,1-5H3
InChI Key:
XTTRNSNHDCYSEL-UHFFFAOYSA-N
SMILES:
CCCCCCc1ccc(s1)c1ccc(s1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.17g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
376.38g/mol
Monoisotopic Mass:
376.17g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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