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51-36-5 | 3,5-Dichlorobenzoic acid
CAS No: 51-36-5 Catalog No: AG0033JA MDL No:MFCD00002494
Product Description
Catalog Number:
AG0033JA
Chemical Name:
3,5-Dichlorobenzoic acid
CAS Number:
51-36-5
Molecular Formula:
C7H4Cl2O2
Molecular Weight:
191.0115
MDL Number:
MFCD00002494
IUPAC Name:
3,5-dichlorobenzoic acid
InChI:
InChI=1S/C7H4Cl2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)
InChI Key:
CXKCZFDUOYMOOP-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(Cl)cc(c1)Cl
EC Number:
200-092-4
UNII:
7BAA7R70GN
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.959g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.007g/mol
Monoisotopic Mass:
189.959g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Whole-cell fluorescent biosensors for bioavailability and biodegradation of polychlorinated biphenyls. | Sensors (Basel, Switzerland) 20100101 |
| 3-Chlorobenzoate is taken up by a chromosomally encoded transport system in Cupriavidus necator JMP134. | Microbiology (Reading, England) 20090801 |
| Arginine 246 of the pretransmembrane domain 1 region alters 2,2,2-trichloroethanol action in the 5-hydroxytryptamine3A receptor. | The Journal of pharmacology and experimental therapeutics 20080301 |
| Growth of the genetically engineered strain Cupriavidus necator RW112 with chlorobenzoates and technical chlorobiphenyls. | Microbiology (Reading, England) 20070101 |
| Injection port derivatization following ion-pair hollow fiber-protected liquid-phase microextraction for determining acidic herbicides by gas chromatography/mass spectrometry. | Analytical chemistry 20061015 |
| 3-chloro-, 2,3- and 3,5-dichlorobenzoate co-metabolism in a 2-chlorobenzoate-degrading consortium: role of 3,5-dichlorobenzoate as antagonist of 2-chlorobenzoate degradation. Metabolism and co-metabolism of chlorobenzoates. | Biodegradation 20050601 |
| Evaluation of the anti-emetic potential of anti-migraine drugs to prevent resiniferatoxin-induced emesis in Suncus murinus (house musk shrew). | European journal of pharmacology 20050131 |
| Origin of the sphere-to-rod transition in cationic micelles with aromatic counterions: specific ion hydration in the interfacial region matters. | Langmuir : the ACS journal of surfaces and colloids 20050118 |
| Novel insights into the interplay between peripheral reactions encoded by xyl genes and the chlorocatechol pathway encoded by tfd genes for the degradation of chlorobenzoates by Ralstonia eutropha JMP134. | Microbiology (Reading, England) 20021101 |
| Is the 1,3,5-tridehydrobenzene triradical a cyclopropenyl radical analogue? | Journal of the American Chemical Society 20021023 |
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