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TETRABROMOTEREPHTHALIC ACID

CAS No.:
5411-70-1
Catalog Number:
AG003UMM
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG003UMM
Chemical Name:
TETRABROMOTEREPHTHALIC ACID
CAS Number:
5411-70-1
MDL Number:
MFCD00059637
IUPAC Name:
2,3,5,6-tetrabromoterephthalic acid
InChI:
InChI=1S/C8H2Br4O4/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h(H,13,14)(H,15,16)
InChI Key:
PNXPXUDJXYVOFM-UHFFFAOYSA-N
NSC Number:
12442
Properties
Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
481.665g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
481.716g/mol
Monoisotopic Mass:
477.669g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Literature
Title Journal
Thermal cleavage of cyclobutane rings in photodimerized coordination-polymeric sheets. Chemistry (Weinheim an der Bergstrasse, Germany) 20120618
4,4'-Bipyridine-1,1'-diium 2,3,5,6-tetra-bromo-terephthalate dihydrate. Acta crystallographica. Section E, Structure reports online 20111001
Properties