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Home Halogens 2-chloroterephthalic acid

2-chloroterephthalic acid

CAS No.:
1967-31-3
Catalog Number:
AG00AOPZ
Molecular Formula:
C8H5ClO4
Molecular Weight:
200.5759
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Product Description
Catalog Number:
AG00AOPZ
Chemical Name:
2-chloroterephthalic acid
CAS Number:
1967-31-3
Molecular Formula:
C8H5ClO4
Molecular Weight:
200.5759
MDL Number:
MFCD14635792
IUPAC Name:
2-chloroterephthalic acid
InChI:
InChI=1S/C8H5ClO4/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChI Key:
ZPXGNBIFHQKREO-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)Cl)C(=O)O
EC Number:
217-817-5
NSC Number:
20548
Properties
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.988g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
200.574g/mol
Monoisotopic Mass:
199.988g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
Phylogenetic and degradation characterization of Burkholderia cepacia WZ1 degrading herbicide quinclorac. Journal of environmental science and health. Part. B, Pesticides, food contaminants, and agricultural wastes 20031101
Properties