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

Technical Data

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Computed Properties

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

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

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[87-88-7]
Chloranilic acid
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate

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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

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