1,3-dibromo-5-(2-ethylhexyl)thieno[3,4-c]pyrrole-4,6-dione


Chemical Name: 1,3-dibromo-5-(2-ethylhexyl)thieno[3,4-c]pyrrole-4,6-dione
CAS Number: 1231160-83-0
Product Number: AG000K1I(AGN-PC-0CBS7U)
Synonyms:
MDL No:
Molecular Formula: C14H17Br2NO2S
Molecular Weight: 423.1633

Identification/Properties


Computed Properties
Molecular Weight:
423.163g/mol
XLogP3:
5.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
6
Exact Mass:
422.933g/mol
Monoisotopic Mass:
420.935g/mol
Topological Polar Surface Area:
65.6A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
367
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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