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Home Halogens 2,5-Dibromoterephthalic acid

2,5-Dibromoterephthalic acid

CAS No.:
13731-82-3
Catalog Number:
AG00133K
Molecular Formula:
C8H4Br2O4
Molecular Weight:
323.9230
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$20
- +
25g
98%
In Stock USA
United States
$69
- +
100g
>97%
In Stock USA
United States
$230
- +
Product Description
Catalog Number:
AG00133K
Chemical Name:
2,5-Dibromoterephthalic acid
CAS Number:
13731-82-3
Molecular Formula:
C8H4Br2O4
Molecular Weight:
323.9230
MDL Number:
MFCD00204593
IUPAC Name:
2,5-dibromoterephthalic acid
InChI:
InChI=1S/C8H4Br2O4/c9-5-1-3(7(11)12)6(10)2-4(5)8(13)14/h1-2H,(H,11,12)(H,13,14)
InChI Key:
VUTICWRXMKBOSF-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(Br)c(cc1Br)C(=O)O
EC Number:
237-300-8
NSC Number:
115430
Properties
Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.846g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
323.924g/mol
Monoisotopic Mass:
321.848g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
Title Journal
2,5-Dibromo-terephthalic acid dihydrate. Acta crystallographica. Section E, Structure reports online 20080901
Ladder-type pentaphenylenes and their polymers: efficient blue-light emitters and electron-accepting materials via a common intermediate. Journal of the American Chemical Society 20040609
Properties