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3-Chloro-4-fluorophenylacetic Acid

3-Chloro-4-fluorophenylacetic Acid - CAS 705-79-3

Catalog:	BB034183
Product Name:	3-Chloro-4-fluorophenylacetic Acid
CAS:	705-79-3
Synonyms:	2-(3-chloro-4-fluorophenyl)acetic acid; 2-(3-chloro-4-fluorophenyl)acetic acid

Technical Data

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Computed Properties

IUPAC Name:	2-(3-chloro-4-fluorophenyl)acetic acid
Description:	3-Chloro-4-fluorophenylacetic Acid (CAS# 705-79-3) is a useful intermediate for organic synthesis.
Molecular Weight:	188.58
Molecular Formula:	C8H6ClFO2
Canonical SMILES:	C1=CC(=C(C=C1CC(=O)O)Cl)F
InChI:	InChI=1S/C8H6ClFO2/c9-6-3-5(4-8(11)12)1-2-7(6)10/h1-3H,4H2,(H,11,12)
InChI Key:	WGODGMOMOMNTRN-UHFFFAOYSA-N
Boiling Point:	302 °C at 760 mmHg
Density:	1.417 g/cm³
MDL:	MFCD01631555
LogP:	2.10620

Publication Number	Title	Priority Date
WO-2021170886-A2	Electronic device	20200806
WO-2021098732-A1	1',2'-dihydro-3'h-spiro[cyclobutane 1,4'-isoquinoline]-3'-one derivative and application thereof	20191118
DE-102015116389-A1	Organic electronic device with carrier generation layer and use of a zinc complex as a p-type dopant in carrier generation layers	20150928
US-10581001-B2	Organic electronic component having a charge carrier generation layer and the use of a zinc complex as a P-type dopant in charge carrier generation layers	20150928
US-2018277778-A1	Organic electronic component having a charge carrier generation layer and the use of a zinc complex as a p-type dopant in charge carrier generation layers	20150928

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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

Complexity:	174
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	188.0040353
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	188.0040353
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2