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Home Halogens 2,5-Dibromo-3,4-Dinitrothiophene

2,5-Dibromo-3,4-Dinitrothiophene

CAS No.:
52431-30-8
Catalog Number:
AG0032ZZ
Molecular Formula:
C4Br2N2O4S
Molecular Weight:
331.9268
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
>98.0%(HPLC)
1 week
United States
$116
- +
5g
>98.0%(HPLC)
1 week
United States
$306
- +
Product Description
Catalog Number:
AG0032ZZ
Chemical Name:
2,5-Dibromo-3,4-Dinitrothiophene
CAS Number:
52431-30-8
Molecular Formula:
C4Br2N2O4S
Molecular Weight:
331.9268
MDL Number:
MFCD00275438
IUPAC Name:
2,5-dibromo-3,4-dinitrothiophene
InChI:
InChI=1S/C4Br2N2O4S/c5-3-1(7(9)10)2(8(11)12)4(6)13-3
InChI Key:
AHGHPBPARMANQD-UHFFFAOYSA-N
SMILES:
Brc1sc(c(c1N(=O)=O)N(=O)=O)Br
Properties
Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.793g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.922g/mol
Monoisotopic Mass:
329.795g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Literature
Title Journal
3,4-Dinitro-2,5-bis-[4-(trifluoro-meth-yl)phen-yl]thio-phene. Acta crystallographica. Section E, Structure reports online 20090701
Properties