3-(2,4-Dichlorophenyl)propionic acid - CAS 55144-92-8
Catalog: |
BB028921 |
Product Name: |
3-(2,4-Dichlorophenyl)propionic acid |
CAS: |
55144-92-8 |
Synonyms: |
3-(2,4-dichlorophenyl)propanoic acid |
IUPAC Name: | 3-(2,4-dichlorophenyl)propanoic acid |
Description: | 3-(2,4-Dichlorophenyl)propionic acid (CAS# 55144-92-8) is a useful research chemical. |
Molecular Weight: | 219.06 |
Molecular Formula: | C9H8Cl2O2 |
Canonical SMILES: | C1=CC(=C(C=C1Cl)Cl)CCC(=O)O |
InChI: | InChI=1S/C9H8Cl2O2/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1,3,5H,2,4H2,(H,12,13) |
InChI Key: | HLNPVFSCAMKIOD-UHFFFAOYSA-N |
Boiling Point: | 336.6 °C at 760 mmHg |
Density: | 1.392 g/cm3 |
Solubility: | Insoluble in water |
Appearance: | White crystalline powder |
MDL: | MFCD00275605 |
LogP: | 3.01060 |
GHS Hazard Statement: | H302 (88.37%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
TW-201722899-A | Composition and method related to herbicidal carboxylic acid half salt (HALF SALT) | 20151214 |
AU-2013365742-A1 | Autotaxin inhibitors | 20121219 |
AU-2013365742-B2 | Autotaxin inhibitors | 20121219 |
CA-2895448-A1 | Autotaxin inhibitors | 20121219 |
EA-028509-B1 | Autotaxin inhibitors, pharmaceutical compositions and combinations comprising same and use thereof in the treatment of diseases and conditions mediated by autotaxin | 20121219 |
Complexity: | 185 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 217.9901349 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.9901349 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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