5-Fluorobenzofuran-2-carboxylic Acid - CAS 89197-62-6

Catalog:	BB039372
Product Name:	5-Fluorobenzofuran-2-carboxylic Acid
CAS:	89197-62-6
Synonyms:	5-fluoro-2-benzofurancarboxylic acid; 5-fluoro-1-benzofuran-2-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	5-fluoro-1-benzofuran-2-carboxylic acid
Description:	5-Fluorobenzofuran-2-carboxylic Acid (CAS# 89197-62-6) is a useful research chemical.
Molecular Weight:	180.13
Molecular Formula:	C9H5FO3
Canonical SMILES:	C1=CC2=C(C=C1F)C=C(O2)C(=O)O
InChI:	InChI=1S/C9H5FO3/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4H,(H,11,12)
InChI Key:	HITUZQPFDWNUHA-UHFFFAOYSA-N
Boiling Point:	317.012 °C at 760 mmHg
Density:	1.463 g/cm³
LogP:	2.27010

Publication Number	Title	Priority Date
AU-2018361706-A1	Heterocyclic mitochondrial activity inhibitors and uses thereof	20171103
CA-2995617-A1	Heterocyclic mitochondrial activity inhibitors and uses thereof	20171103
WO-2019084662-A1	Heterocyclic mitochondrial activity inhibitors and uses thereof	20171103
BR-112020008767-A2	heterocyclic mitochondrial activity inhibitors and their uses	20171103
CN-111886234-A	Heterocyclic mitochondrial activity inhibitors and uses thereof	20171103

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	219
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	180.02227218
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	180.02227218
Rotatable Bond Count:	1
Topological Polar Surface Area:	50.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5