Methyl 2-Amino-6-fluoro-3-nitrobenzoate - CAS 346691-23-4

Catalog:	BB022234
Product Name:	Methyl 2-Amino-6-fluoro-3-nitrobenzoate
CAS:	346691-23-4
Synonyms:	2-amino-6-fluoro-3-nitrobenzoic acid methyl ester; methyl 2-amino-6-fluoro-3-nitrobenzoate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 2-amino-6-fluoro-3-nitrobenzoate
Description:	Methyl 2-Amino-6-fluoro-3-nitrobenzoate (CAS# 346691-23-4) is a useful research chemical.
Molecular Weight:	214.15
Molecular Formula:	C8H7FN2O4
Canonical SMILES:	COC(=O)C1=C(C=CC(=C1N)[N+](=O)[O-])F
InChI:	InChI=1S/C8H7FN2O4/c1-15-8(12)6-4(9)2-3-5(7(6)10)11(13)14/h2-3H,10H2,1H3
InChI Key:	CZWULSUQQAOBDL-UHFFFAOYSA-N
MDL:	MFCD09839221
LogP:	2.20710

Publication Number	Title	Priority Date
WO-2021105334-A1	Piperidine-2, 6-dione derivatives which bind to cereblon, and methods of use thereof	20191127
EP-2273879-A1	Prolyl hydroxylase inhibitors	20080430
JP-2011519858-A	Prolyl hydroxylase inhibitor	20080430
US-2011039895-A1	Prolyl hydroxylase inhibitors	20080430
WO-2009134850-A1	Prolyl hydroxylase inhibitors	20080430

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[87-88-7]
Chloranilic acid
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-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]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	268
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	214.03898487
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	214.03898487
Rotatable Bond Count:	2
Topological Polar Surface Area:	98.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6