2-Fluoro-5-nitroanisole - CAS 454-16-0

Catalog:	BB025853
Product Name:	2-Fluoro-5-nitroanisole
CAS:	454-16-0
Synonyms:	1-fluoro-2-methoxy-4-nitrobenzene; 1-fluoro-2-methoxy-4-nitrobenzene

Technical Data

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Computed Properties

IUPAC Name:	1-fluoro-2-methoxy-4-nitrobenzene
Description:	2-Fluoro-5-nitroanisole (CAS# 454-16-0) is a useful research chemical.
Molecular Weight:	171.13
Molecular Formula:	C7H6FNO3
Canonical SMILES:	COC1=C(C=CC(=C1)[N+](=O)[O-])F
InChI:	InChI=1S/C7H6FNO3/c1-12-7-4-5(9(10)11)2-3-6(7)8/h2-4H,1H3
InChI Key:	AZNKKZHZGDZSIF-UHFFFAOYSA-N
Boiling Point:	270.3 °C at 760 mmHg
Density:	1.321 g/cm³
MDL:	MFCD07782081
LogP:	2.26570

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Related Functional Groups

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[13021-14-2]
2,4,6-Trimethyl-N-methylaniline
[5724-76-5]
3-(2,5-Dioxopyrrolidin-1-yl)propionic acid
[351-28-0]
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[83554-67-0]
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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:	171
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	171.03317122
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	171.03317122
Rotatable Bond Count:	1
Topological Polar Surface Area:	55 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3