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1024594-86-2 | Thieno[3,4-b]thiophene-2-carboxylic acid, 4,6-dibromo-
CAS No: 1024594-86-2 Catalog No: AG0007JE MDL No:MFCD19440952
Product Description
Catalog Number:
AG0007JE
Chemical Name:
Thieno[3,4-b]thiophene-2-carboxylic acid, 4,6-dibromo-
CAS Number:
1024594-86-2
Molecular Formula:
C7H2Br2O2S2
Molecular Weight:
342.0276
MDL Number:
MFCD19440952
IUPAC Name:
4,6-dibromothieno[2,3-c]thiophene-2-carboxylic acid
InChI:
InChI=1S/C7H2Br2O2S2/c8-5-2-1-3(7(10)11)12-4(2)6(9)13-5/h1H,(H,10,11)
InChI Key:
LZZZIBXZKLAXSO-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2c(s1)c(sc2Br)Br
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.784g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
342.019g/mol
Monoisotopic Mass:
339.786g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
93.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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