3-(Trifluoromethoxy)phenylacetic Acid - CAS 203302-97-0

Catalog:	BB015804
Product Name:	3-(Trifluoromethoxy)phenylacetic Acid
CAS:	203302-97-0
Synonyms:	2-[3-(trifluoromethoxy)phenyl]acetic acid; 2-[3-(trifluoromethoxy)phenyl]acetic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-[3-(trifluoromethoxy)phenyl]acetic acid
Description:	3-(Trifluoromethoxy)phenylacetic Acid (CAS# 203302-97-0) is a useful research chemical.
Molecular Weight:	220.15
Molecular Formula:	C9H7F3O3
Canonical SMILES:	C1=CC(=CC(=C1)OC(F)(F)F)CC(=O)O
InChI:	InChI=1S/C9H7F3O3/c10-9(11,12)15-7-3-1-2-6(4-7)5-8(13)14/h1-4H,5H2,(H,13,14)
InChI Key:	NFZQVADYFXRRPM-UHFFFAOYSA-N
Boiling Point:	260.2 °C at 760 mmHg
Density:	1.399 g/cm³
MDL:	MFCD00082480
LogP:	2.21230

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[1427004-19-0]
DBCO-PEG4-NHS ester
[17746-05-3]
Undecanoyl chloride
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[1016519-61-1]
2-(Methyl-2-pyridylamino)acetic Acid
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide

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:	227
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	220.03472857
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	220.03472857
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7