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50-73-7 | 2,3,5-Trichlorobenzoic acid
CAS No: 50-73-7 Catalog No: AG003FF5 MDL No:MFCD00060674
Product Description
Catalog Number:
AG003FF5
Chemical Name:
2,3,5-Trichlorobenzoic acid
CAS Number:
50-73-7
Molecular Formula:
C7H3Cl3O2
Molecular Weight:
225.4565
MDL Number:
MFCD00060674
IUPAC Name:
2,3,5-trichlorobenzoic acid
InChI:
InChI=1S/C7H3Cl3O2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,(H,11,12)
InChI Key:
CGFDSIZRJWMQPP-UHFFFAOYSA-N
SMILES:
Clc1cc(Cl)c(c(c1)C(=O)O)Cl
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.92g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.449g/mol
Monoisotopic Mass:
223.92g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Phenoxy herbicides and fibrates potently inhibit the human chemosensory receptor subunit T1R3. | Journal of medicinal chemistry 20091112 |
| Synthesis, antimicrobial and anti-inflammatory activities of some 1,2,4-triazolo[3,4-b][1,3,4]thiadiazoles and 1,2,4-triazolo[3,4-b][1,3,4]thiadiazines bearing trichlorophenyl moiety. | European journal of medicinal chemistry 20080401 |
| Diversity of biphenyl degraders in a chlorobenzene polluted aquifer. | Chemosphere 20050101 |
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