5-Fluoro-2-methoxybenzoic Acid - CAS 394-04-7

Catalog:	BB023967
Product Name:	5-Fluoro-2-methoxybenzoic Acid
CAS:	394-04-7
Synonyms:	5-fluoro-2-methoxybenzoic acid; 5-fluoro-2-methoxybenzoic acid

Technical Data

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Computed Properties

IUPAC Name:	5-fluoro-2-methoxybenzoic acid
Description:	5-Fluoro-2-methoxybenzoic Acid (CAS# 394-04-7) is a useful research chemical.
Molecular Weight:	170.14
Molecular Formula:	C8H7FO3
Canonical SMILES:	COC1=C(C=C(C=C1)F)C(=O)O
InChI:	InChI=1S/C8H7FO3/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4H,1H3,(H,10,11)
InChI Key:	WPXFJBPJUGMYOD-UHFFFAOYSA-N
Boiling Point:	294 °C at 760 mmHg
Density:	1.307 g/cm³
MDL:	MFCD00671765
LogP:	1.53250

Publication Number	Title	Priority Date
CN-111518147-A	Benzoylanilide compound and application thereof in preparing sensitizer of pseudomonas aeruginosa inhibitor	20200429
WO-2021211784-A2	Method of treating coronavirus infections	20200415
WO-2021188907-A1	Pyridinesulfonamide derivatives as trap1 modulators and uses thereof	20200320
JP-2021134343-A	A reactive mixture containing a plurality of reactive components and a polymer having an aryl ether ketone structure obtained from this mixture.	20200227
WO-2021155194-A1	Therapeutic peptides	20200129

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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:	172
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	170.03792224
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	170.03792224
Rotatable Bond Count:	2
Topological Polar Surface Area:	46.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1