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608528-48-9

608528-48-9 | (4,4'-(cyclopent-1-ene-1,2-diyl)bis(5-methylthiophene-4,2-diyl))diboronic acid

CAS No: 608528-48-9 Catalog No: AG01DFMZ MDL No:

Product Description

Catalog Number:
AG01DFMZ
Chemical Name:
(4,4'-(cyclopent-1-ene-1,2-diyl)bis(5-methylthiophene-4,2-diyl))diboronic acid
CAS Number:
608528-48-9
Molecular Formula:
C15H18B2O4S2
Molecular Weight:
348.0530
IUPAC Name:
[4-[2-(5-borono-2-methylthiophen-3-yl)cyclopenten-1-yl]-5-methylthiophen-2-yl]boronic acid
InChI:
InChI=1S/C15H18B2O4S2/c1-8-12(6-14(22-8)16(18)19)10-4-3-5-11(10)13-7-15(17(20)21)23-9(13)2/h6-7,18-21H,3-5H2,1-2H3
InChI Key:
KPIARZCIDLACFI-UHFFFAOYSA-N
SMILES:
Cc1sc(cc1C1=C(CCC1)c1cc(sc1C)B(O)O)B(O)O

Properties

Complexity:
434  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.083g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
348.045g/mol
Monoisotopic Mass:
348.083g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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