Methyl 2-Amino-6-fluorobenzoate - CAS 86505-94-4

Catalog:	BB037963
Product Name:	Methyl 2-Amino-6-fluorobenzoate
CAS:	86505-94-4
Synonyms:	2-amino-6-fluorobenzoic acid methyl ester; methyl 2-amino-6-fluorobenzoate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 2-amino-6-fluorobenzoate
Description:	Methyl 2-Amino-6-fluorobenzoate (CAS# 86505-94-4) is a useful research chemical.
Molecular Weight:	169.15
Molecular Formula:	C8H8FNO2
Canonical SMILES:	COC(=O)C1=C(C=CC=C1F)N
InChI:	InChI=1S/C8H8FNO2/c1-12-8(11)7-5(9)3-2-4-6(7)10/h2-4H,10H2,1H3
InChI Key:	VKJYAPKCOSGXAD-UHFFFAOYSA-N
Boiling Point:	266.6 °C at 760 mmHg
Density:	1.264 g/cm³
MDL:	MFCD01763810
LogP:	1.77570

Publication Number	Title	Priority Date
WO-2021202964-A1	Allosteric chromenone inhibitors of phosphoinositide 3-kinase (pi3k) for the treatment of diseases associated with p13k modulation	20200403
WO-2021046315-A2	Inhibitors of encephalitic alphaviruses	20190905
US-2020071299-A1	Poly-adp ribose polymerase (parp) inhibitors	20161230
US-11034670-B2	Poly-ADP ribose polymerase (PARP) inhibitors	20161230
KR-101796779-B1	Dihydropteridin-one derivatives or pharmaceutically acceptable salts thereof, preparation method thereof and pharmaceutical composition for use in preventing or treating PI3 kinase related diseases	20151222

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Related Functional Groups

Carbonyl Compounds

[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]
Undecanoyl chloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (50%): 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:	174
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	169.05390666
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	169.05390666
Rotatable Bond Count:	2
Topological Polar Surface Area:	52.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7