2-Chloro-4-fluoro-5-nitroanisole - CAS 84478-76-2

Catalog:	BB037214
Product Name:	2-Chloro-4-fluoro-5-nitroanisole
CAS:	84478-76-2
Synonyms:	1-chloro-5-fluoro-2-methoxy-4-nitrobenzene; 1-chloro-5-fluoro-2-methoxy-4-nitrobenzene

Technical Data

Patents

Computed Properties

IUPAC Name:	1-chloro-5-fluoro-2-methoxy-4-nitrobenzene
Description:	2-Chloro-4-fluoro-5-nitroanisole (CAS# 84478-76-2) is a useful research chemical.
Molecular Weight:	205.57
Molecular Formula:	C7H5ClFNO3
Canonical SMILES:	COC1=C(C=C(C(=C1)[N+](=O)[O-])F)Cl
InChI:	InChI=1S/C7H5ClFNO3/c1-13-7-3-6(10(11)12)5(9)2-4(7)8/h2-3H,1H3
InChI Key:	CRONHBXGPYQWHX-UHFFFAOYSA-N
Boiling Point:	307.9 °C at 760 mmHg
Density:	1.453 g/cm³
MDL:	MFCD03425810
LogP:	2.91910

Publication Number	Title	Priority Date
CA-3049643-A1	Novel heterocyclic compound, its preparation method, and pharmaceutical composition comprising the same	20170207
JP-2020506197-A	Novel heterocyclic compound, production method thereof and pharmaceutical composition containing the same	20170207
KR-102084772-B1	Novel hetero-ring compound, its preparation method, and pharmaceutical composition comprising the same	20170207
KR-20180091770-A	Novel hetero-ring compound, its preparation method, and pharmaceutical composition comprising the same	20170207
TW-201831463-A	Novel heterocyclic compound, preparation method thereof and pharmaceutical composition containing the same	20170207

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Complexity:	199
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	204.9941989
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	204.9941989
Rotatable Bond Count:	1
Topological Polar Surface Area:	55
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5