2,4'-Dichloro-4-nitrodiphenyl Ether - CAS 22544-07-6

Catalog:	BB017663
Product Name:	2,4'-Dichloro-4-nitrodiphenyl Ether
CAS:	22544-07-6
Synonyms:	2-chloro-1-(4-chlorophenoxy)-4-nitrobenzene; 2-chloro-1-(4-chlorophenoxy)-4-nitrobenzene

Technical Data

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Computed Properties

IUPAC Name:	2-chloro-1-(4-chlorophenoxy)-4-nitrobenzene
Description:	2,4'-Dichloro-4-nitrodiphenyl Ether (CAS# 22544-07-6 ) is a useful research chemical.
Molecular Weight:	284.09
Molecular Formula:	C12H7Cl2NO3
Canonical SMILES:	C1=CC(=CC=C1OC2=C(C=C(C=C2)[N+](=O)[O-])Cl)Cl
InChI:	InChI=1S/C12H7Cl2NO3/c13-8-1-4-10(5-2-8)18-12-6-3-9(15(16)17)7-11(12)14/h1-7H
InChI Key:	RTCVXHVOOYCYNA-UHFFFAOYSA-N
Boiling Point:	351.6 °C at 760 mmHg
Density:	1.451 g/cm³
MDL:	MFCD00204156
LogP:	5.21710

Publication Number	Title	Priority Date
EP-3666769-A1	Novel caspase inhibitors	20181212
CA-2633760-A1	Anti-viral compounds	20051221
EP-1979349-A2	Anti-viral compounds	20051221
EP-1979349-B1	Anti-viral compounds	20051221
RU-2467007-C2	[1,8]naphthyridine derivatives, useful as inhibitors of hcv virus replication	20051221

PMID	Publication Date	Title	Journal
16490937	20060101	Effects of nitrofen and vitamins A, C and E on maturation of cultured human H441 pneumocytes	Biology of the neonate

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Related Functional Groups

Nitrogen Compounds

[1281984-38-0]
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[865774-78-3]
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[13021-14-2]
2,4,6-Trimethyl-N-methylaniline
[916792-07-9]
2-Bromo-4-fluoro-5-methylbenzonitrile
[862649-86-3]
3-[(4-Chlorophenyl)sulfonyl]-5-nitrophenol
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine

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Complexity:	290
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	282.9802985
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	282.9802985
Rotatable Bond Count:	2
Topological Polar Surface Area:	55
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.6