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Home > Bromides > 1237479-38-7
1237479-38-7 | Thieno[3,4-b]thiophene-2-carboxylic acid, 4,6-dibromo-3-fluoro-, 2-ethylhexyl ester
CAS No: 1237479-38-7 Catalog No: AG000L0Q MDL No:MFCD26403656
Product Description
Catalog Number:
AG000L0Q
Chemical Name:
Thieno[3,4-b]thiophene-2-carboxylic acid, 4,6-dibromo-3-fluoro-, 2-ethylhexyl ester
CAS Number:
1237479-38-7
Molecular Formula:
C15H17Br2FO2S2
Molecular Weight:
472.2307
MDL Number:
MFCD26403656
IUPAC Name:
2-ethylhexyl 4,6-dibromo-3-fluorothieno[2,3-c]thiophene-2-carboxylate
InChI:
InChI=1S/C15H17Br2FO2S2/c1-3-5-6-8(4-2)7-20-15(19)12-10(18)9-11(21-12)14(17)22-13(9)16/h8H,3-7H2,1-2H3
InChI Key:
SOEJTOAKIMQIGL-UHFFFAOYSA-N
SMILES:
CCCCC(COC(=O)c1sc2c(c1F)c(sc2Br)Br)CC
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
471.9g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
472.225g/mol
Monoisotopic Mass:
469.902g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
82.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
8.1
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