2-Methoxy-4-(trifluoromethyl)benzoic Acid - CAS 448-36-2

Catalog:	BB025713
Product Name:	2-Methoxy-4-(trifluoromethyl)benzoic Acid
CAS:	448-36-2
Synonyms:	2-methoxy-4-(trifluoromethyl)benzoic acid; 2-methoxy-4-(trifluoromethyl)benzoic acid

Technical Data

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Computed Properties

IUPAC Name:	2-methoxy-4-(trifluoromethyl)benzoic acid
Description:	2-Methoxy-4-(trifluoromethyl)benzoic Acid (CAS# 448-36-2) is a useful research chemical.
Molecular Weight:	220.15
Molecular Formula:	C9H7F3O3
Canonical SMILES:	COC1=C(C=CC(=C1)C(F)(F)F)C(=O)O
InChI:	InChI=1S/C9H7F3O3/c1-15-7-4-5(9(10,11)12)2-3-6(7)8(13)14/h2-4H,1H3,(H,13,14)
InChI Key:	QWRIRBUKLBWVNF-UHFFFAOYSA-N
MDL:	MFCD04115976
LogP:	2.41220

Publication Number	Title	Priority Date
WO-2021204626-A1	Aryl and heteroaryl-carboxamide substituted heteroaryl compounds as tyk2 inhibitors	20200406
CN-111320624-A	Triazolopyridine and imidazopyridine compounds, and preparation method and medical application thereof	20181214
JP-2020500920-A	Substituted pyrazoloazepin-4-ones and their use as phosphodiesterase inhibitors	20161212
TW-201742857-A	Guanidine derivatives, preparation methods thereof, pharmaceutical compositions thereof and their use in medicine	20160614
TW-I654169-B	Guanidine derivatives, preparation methods thereof, pharmaceutical compositions thereof and their use in medicine use	20160614

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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:	239
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:	2
Topological Polar Surface Area:	46.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5