2-(5-Chloro-2-phenoxyphenyl)acetic acid - CAS 70958-20-2
Catalog: |
BB034274 |
Product Name: |
2-(5-Chloro-2-phenoxyphenyl)acetic acid |
CAS: |
70958-20-2 |
Synonyms: |
2-(5-chloro-2-phenoxyphenyl)acetic acid; 2-(5-chloro-2-phenoxyphenyl)acetic acid |
IUPAC Name: | 2-(5-chloro-2-phenoxyphenyl)acetic acid |
Description: | 5-Chloro-2-phenoxyphenylacetic Acid (CAS# 70958-20-2) is a useful research chemical. |
Molecular Weight: | 262.69 |
Molecular Formula: | C14H11ClO3 |
Canonical SMILES: | C1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)CC(=O)O |
InChI: | InChI=1S/C14H11ClO3/c15-11-6-7-13(10(8-11)9-14(16)17)18-12-4-2-1-3-5-12/h1-8H,9H2,(H,16,17) |
InChI Key: | PKMKNEIUKHPJAX-UHFFFAOYSA-N |
Boiling Point: | 395.1 °C at 760 mmHg |
Purity: | 98.0% |
Density: | 1.317 g/cm3 |
MDL: | MFCD07368830 |
LogP: | 3.75940 |
GHS Hazard Statement: | H319 (10.53%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H412 (94.74%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] |
Precautionary Statement: | P264+P265, P273, P280, P305+P351+P338, P337+P317, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021047339-A1 | Method for preparation of asenapine | 20190813 |
WO-2021027813-A1 | Method of preparing asenapine | 20190813 |
CN-103760280-A | Method for separating and measuring asenapine intermediate related substances by liquid chromatography | 20140110 |
AU-2014249034-A1 | Fused tetracyclic bromodomain inhibitors | 20130311 |
CA-2904049-A1 | Fused tetracyclic bromodomain inhibitors | 20130311 |
Complexity: | 276 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 262.0396719 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 262.0396719 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 46.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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