3,4-Dichlorophenylacetic acid - CAS 5807-30-7
Catalog: |
BB029920 |
Product Name: |
3,4-Dichlorophenylacetic acid |
CAS: |
5807-30-7 |
Synonyms: |
2-(3,4-dichlorophenyl)acetic acid |
IUPAC Name: | 2-(3,4-dichlorophenyl)acetic acid |
Description: | 3,4-Dichlorophenylacetic acid (CAS# 5807-30-7) is a useful research chemical. |
Molecular Weight: | 205.04 |
Molecular Formula: | C8H6Cl2O2 |
Canonical SMILES: | C1=CC(=C(C=C1CC(=O)O)Cl)Cl |
InChI: | InChI=1S/C8H6Cl2O2/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3H,4H2,(H,11,12) |
InChI Key: | ZOUPGSMSNQLUNW-UHFFFAOYSA-N |
Boiling Point: | 328 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.456 g/cm3 |
Appearance: | White to light yellow crystalline powder |
MDL: | MFCD00004333 |
LogP: | 2.62050 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
24378711 | 20140212 | Specific features of HIV-1 integrase inhibition by bisphosphonate derivatives | European journal of medicinal chemistry |
21834094 | 20111004 | Optimisation of the anti-Trypanosoma brucei activity of the opioid agonist U50488 | ChemMedChem |
Complexity: | 172 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.9744848 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.9744848 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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