Home Bromides 1160823-76-6
1160823-76-6,MFCD19440962
Catalog No.:AA000BHT
1160823-76-6 | Thieno[3,4-b]thiophene-2-carboxylic acid, 4,6-dibromo-3-fluoro-, octyl ester
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Technical Information
Catalog Number:
AA000BHT
Chemical Name:
Thieno[3,4-b]thiophene-2-carboxylic acid, 4,6-dibromo-3-fluoro-, octyl ester
CAS Number:
1160823-76-6
Molecular Formula:
C15H17Br2FO2S2
Molecular Weight:
472.2307
MDL Number:
MFCD19440962
IUPAC Name:
octyl 4,6-dibromo-3-fluorothieno[2,3-c]thiophene-2-carboxylate
InChI:
InChI=1S/C15H17Br2FO2S2/c1-2-3-4-5-6-7-8-20-15(19)12-10(18)9-11(21-12)14(17)22-13(9)16/h2-8H2,1H3
InChI Key:
AXLMQOPQPUEOQD-UHFFFAOYSA-N
SMILES:
CCCCCCCCOC(=O)c1sc2c(c1F)c(sc2Br)Br
Properties
Computed Properties
 
Complexity:
376  
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:
9  
Topological Polar Surface Area:
82.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.4  

Synonyms
 
1160823-76-6 
Octyl 4,6-dibromo-3-fluorothieno[3,4-b]thiophene-2-carboxylate 
AK123250 
AX8247428 
O0436 
ST24048835 
Octyl 4,6-dibromo-3-fluorothieno[3,4-b ]thiophene-2-carboxylate 
3-Fluoro-4,6-dibromothieno[3,4-b]thiophene-2-carboxylic acid octyl ester 
4,6-Dibromo-3-fluorothieno[3,4-b]thiophene-2-carboxylic Acid n-Octyl Ester 
ACN-037639 
Octyl4,6-dibromo-3-fluorothieno[3,4-b]thiophene-2-carboxylate 
octyl 4,6-dibromo-3-fluorothieno[2,3-c]thiophene-2-carboxylate 
n-Octyl 4,6-Dibromo-3-fluorothieno[3,4-b]thiophene-2-carboxylate 
C15H17Br2FO2S2 
SCHEMBL12622743 
DTXSID10729053 
2650AA 
4,6-Dibromo-3-fluorothieno[3,4-b]thiophene-2-carboxylic acid octyl ester 
ZINC100070997 
Literature
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