2-fluoro-6-methylbenzoic acid - CAS 90259-27-1

Catalog:	BB039799
Product Name:	2-fluoro-6-methylbenzoic acid
CAS:	90259-27-1
Synonyms:	2-fluoro-6-methylbenzoic acid; 2-fluoro-6-methylbenzoic acid

Technical Data

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Computed Properties

IUPAC Name:	2-fluoro-6-methylbenzoic acid
Description:	2-fluoro-6-methylbenzoic acid (CAS# 90259-27-1) is a useful research chemical.
Molecular Weight:	154.14
Molecular Formula:	C8H7FO2
Canonical SMILES:	CC1=C(C(=CC=C1)F)C(=O)O
InChI:	InChI=1S/C8H7FO2/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4H,1H3,(H,10,11)
InChI Key:	WELNSIYTQJSNRP-UHFFFAOYSA-N
Boiling Point:	257.715 °C at 760 mmHg
Purity:	98 %
Density:	1.259 g/cm³
MDL:	MFCD06658162
LogP:	1.83230

Publication Number	Title	Priority Date
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-2021127333-A1	Trpml modulators	20191219
WO-2021127337-A1	Trpml modulators	20191219
US-2021171535-A1	Tricyclic heterocycles as fgfr inhibitors	20191204
WO-2021113479-A1	Tricyclic heterocycles as fgfr inhibitors	20191204

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GHS Hazard Statement:	H302 (96.55%): 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:	158
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	154.04300762
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	154.04300762
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8