2-(2,3,4-Trifluorophenyl)acetic Acid - CAS 243666-12-8

Catalog:	BB018437
Product Name:	2-(2,3,4-Trifluorophenyl)acetic Acid
CAS:	243666-12-8
Synonyms:	2-(2,3,4-trifluorophenyl)acetic acid; 2-(2,3,4-trifluorophenyl)acetic acid

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Computed Properties

IUPAC Name:	2-(2,3,4-trifluorophenyl)acetic acid
Description:	2-(2,3,4-Trifluorophenyl)acetic Acid (CAS# 243666-12-8) is a useful research chemical.
Molecular Weight:	190.12
Molecular Formula:	C8H5F3O2
Canonical SMILES:	C1=CC(=C(C(=C1CC(=O)O)F)F)F
InChI:	InChI=1S/C8H5F3O2/c9-5-2-1-4(3-6(12)13)7(10)8(5)11/h1-2H,3H2,(H,12,13)
InChI Key:	OSQPRQRJSJMQRJ-UHFFFAOYSA-N
Boiling Point:	257.9 °C at 760 mmHg
Density:	1.468 g/cm³
MDL:	MFCD00061235
LogP:	1.73100

Publication Number	Title	Priority Date
WO-2021170886-A2	Electronic device	20200806
WO-2021105337-A1	Process for the preparation (9s)-2-bromo-9-(2,3,4-trifluorophenyl)-6,7,8,9-tetrahydro-5h-[1,2,4]triazolo[1,5-a]azepine	20191129
WO-2019121434-A1	Triazolo-azepine derivatives	20171218
CN-111315745-A	Triazolo-aza derivatives	20171218
EP-3728262-A1	Triazolo-azepine derivatives	20171218

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Carbonyl Compounds

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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:	198
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	190.02416388
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	190.02416388
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7