Methyl 3-Fluoro-5-nitrobenzoate - CAS 883987-72-2

Catalog:	BB038845
Product Name:	Methyl 3-Fluoro-5-nitrobenzoate
CAS:	883987-72-2
Synonyms:	3-fluoro-5-nitrobenzoic acid methyl ester; methyl 3-fluoro-5-nitrobenzoate

Technical Data

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Computed Properties

IUPAC Name:	methyl 3-fluoro-5-nitrobenzoate
Description:	Methyl 3-Fluoro-5-nitrobenzoate (CAS# 883987-72-2) is a useful research chemical.
Molecular Weight:	199.14
Molecular Formula:	C8H6FNO4
Canonical SMILES:	COC(=O)C1=CC(=CC(=C1)F)[N+](=O)[O-]
InChI:	InChI=1S/C8H6FNO4/c1-14-8(11)5-2-6(9)4-7(3-5)10(12)13/h2-4H,1H3
InChI Key:	BMUQWLIUUPZAOK-UHFFFAOYSA-N
LogP:	2.04370

Publication Number	Title	Priority Date
CN-110229162-A	A kind of simple and convenient process for preparing of Rui Kapabu	20180305
CN-110229162-B	Simple preparation method of Ruipab	20180305
CA-2918500-A1	Therapeutically active compounds and use thereof	20130725
EP-3024824-A1	Therapeutically active compounds and use thereof	20130725
JP-2016525130-A	Therapeutically active compounds and uses thereof	20130725

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, 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:	2.1