3-Fluoro-2-naphthoic Acid - CAS 712-70-9

Catalog:	BB034344
Product Name:	3-Fluoro-2-naphthoic Acid
CAS:	712-70-9
Synonyms:	3-fluoro-2-naphthalenecarboxylic acid; 3-fluoronaphthalene-2-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	3-fluoronaphthalene-2-carboxylic acid
Description:	3-Fluoro-2-naphthoic Acid (CAS# 712-70-9) is a useful research chemical.
Molecular Weight:	190.17
Molecular Formula:	C11H7FO2
Canonical SMILES:	C1=CC=C2C=C(C(=CC2=C1)C(=O)O)F
InChI:	InChI=1S/C11H7FO2/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h1-6H,(H,13,14)
InChI Key:	VDXLBIXGGFGMRQ-UHFFFAOYSA-N
LogP:	2.67710

Publication Number	Title	Priority Date
US-10253018-B2	Apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof	20170525
US-2018362501-A1	Apoptosis Signal-Regulating Kinase 1 Inhibitors and Methods of Use Thereof	20170525
WO-2018218042-A1	Apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof	20170525
CA-2507458-A1	Substituted amino phenylacetic acids, derivatives thereof, their preparation and their use as cyclooxygenase 2 (cox-2) inhibitors	20021126
CN-1729157-A	Substituted amino phenylacetic acids, derivatives thereof, their preparation and their use as cyclooxygenase 2 (COX-2) inhibitors	20021126

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Carbonyl Compounds

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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:	229
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	190.04300762
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	190.04300762
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8