4-Fluoro-2-methylphenylacetic Acid - CAS 407640-40-8

Catalog:	BB024660
Product Name:	4-Fluoro-2-methylphenylacetic Acid
CAS:	407640-40-8
Synonyms:	2-(4-fluoro-2-methylphenyl)acetic acid; 2-(4-fluoro-2-methylphenyl)acetic acid

Technical Data

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Computed Properties

IUPAC Name:	2-(4-fluoro-2-methylphenyl)acetic acid
Description:	4-Fluoro-2-methylphenylacetic Acid (CAS# 407640-40-8) is a useful research chemical.
Molecular Weight:	168.16
Molecular Formula:	C9H9FO2
Canonical SMILES:	CC1=C(C=CC(=C1)F)CC(=O)O
InChI:	InChI=1S/C9H9FO2/c1-6-4-8(10)3-2-7(6)5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
InChI Key:	KOZXQTAPRQFRLT-UHFFFAOYSA-N
Boiling Point:	285.6 °C at 760 mmHg
Density:	1.224 g/cm³
MDL:	MFCD00049318
LogP:	1.76120

Publication Number	Title	Priority Date
WO-2021072156-A1	Oral complement factor d inhibitors	20191009
EP-3322694-A1	5-hydroxyalkylbenzimidazoles as midh1 inhibitors	20150716
EP-3322694-B1	5-hydroxyalkylbenzimidazoles as midh1 inhibitors	20150716
US-10414734-B2	5-hydroxyalkylbenzimidazoles as mIDH1 inhibitors	20150716
US-2018201585-A1	5-hydroxyalkylbenzimidazoles as midh1 inhibitors	20150716

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Related Functional Groups

Carbonyl Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide

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GHS Hazard Statement:	H302 (14.29%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	170
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.05865769
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	168.05865769
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8