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1231160-83-0 | 4H-Thieno[3,4-c]pyrrole-4,6(5H)-dione, 1,3-dibromo-5-(2-ethylhexyl)-
CAS No: 1231160-83-0 Catalog No: AG000K1I MDL No:MFCD23703120
Product Description
Catalog Number:
AG000K1I
Chemical Name:
4H-Thieno[3,4-c]pyrrole-4,6(5H)-dione, 1,3-dibromo-5-(2-ethylhexyl)-
CAS Number:
1231160-83-0
Molecular Formula:
C14H17Br2NO2S
Molecular Weight:
423.1633
MDL Number:
MFCD23703120
IUPAC Name:
1,3-dibromo-5-(2-ethylhexyl)thieno[3,4-c]pyrrole-4,6-dione
InChI:
InChI=1S/C14H17Br2NO2S/c1-3-5-6-8(4-2)7-17-13(18)9-10(14(17)19)12(16)20-11(9)15/h8H,3-7H2,1-2H3
InChI Key:
AOZLCBYWDXFKCJ-UHFFFAOYSA-N
SMILES:
CCCCC(CN1C(=O)c2c(C1=O)c(sc2Br)Br)CC
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.933g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
423.163g/mol
Monoisotopic Mass:
420.935g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
65.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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