Methyl 5-Fluoro-2-nitrobenzoate - CAS 393-85-1

Catalog:	BB023955
Product Name:	Methyl 5-Fluoro-2-nitrobenzoate
CAS:	393-85-1
Synonyms:	5-fluoro-2-nitrobenzoic acid methyl ester; methyl 5-fluoro-2-nitrobenzoate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 5-fluoro-2-nitrobenzoate
Description:	Methyl 5-Fluoro-2-nitrobenzoate (CAS# 393-85-1) is a useful research chemical.
Molecular Weight:	199.14
Molecular Formula:	C8H6FNO4
Canonical SMILES:	COC(=O)C1=C(C=CC(=C1)F)[N+](=O)[O-]
InChI:	InChI=1S/C8H6FNO4/c1-14-8(11)6-4-5(9)2-3-7(6)10(12)13/h2-4H,1H3
InChI Key:	LCAUVFVOLNRVKG-UHFFFAOYSA-N
Boiling Point:	281.9 °C at 760 mmHg
Density:	1.388 g/cm³
LogP:	2.04370

Publication Number	Title	Priority Date
CN-112094248-A	Substituted benzothiazole compound and application thereof	20200917
US-2021032251-A1	Heterobicyclic amides as inhibitors of cd38	20190731
WO-2021021986-A1	Heterobicyclic amides as inhibitors of cd38	20190731
WO-2020033944-A2	Non-polyamine based polyamine transport inhibitors and their use in the treatment of human cancers	20180810
EP-3833352-A2	Non-polyamine based polyamine transport inhibitors and their use in the treatment of human cancers	20180810

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[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

GHS Hazard Statement:	H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	240
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	199.02808583
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	199.02808583
Rotatable Bond Count:	2
Topological Polar Surface Area:	72.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8