1-(2-chloro-4-nitrophenoxy)-3-fluoro-2-nitrobenzene

C12H6ClFN2O5 — CID 62665251

IUPAC1-(2-chloro-4-nitrophenoxy)-3-fluoro-2-nitrobenzene
SMILESO=[N+]([O-])c1ccc(Oc2cccc(F)c2[N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C12H6ClFN2O5/c13-8-6-7(15(17)18)4-5-10(8)21-11-3-1-2-9(14)12(11)16(19)20/h1-6H
InChIKeyVDIPKJGLKHOBSK-UHFFFAOYSA-N
MW312.64 g/mol
LogP4.09
Rot. Bonds4

About 1-(2-chloro-4-nitrophenoxy)-3-fluoro-2-nitrobenzene

1-(2-chloro-4-nitrophenoxy)-3-fluoro-2-nitrobenzene (PubChem CID 62665251) has the molecular formula C12H6ClFN2O5 and a molecular weight of 312.64 g/mol. Its IUPAC name is 1-(2-chloro-4-nitrophenoxy)-3-fluoro-2-nitrobenzene.

Molecular Properties

Compound Name1-(2-chloro-4-nitrophenoxy)-3-fluoro-2-nitrobenzene
PubChem CID62665251
Molecular FormulaC12H6ClFN2O5
Molecular Weight312.64 g/mol
Exact Mass311.99
IUPAC Name1-(2-chloro-4-nitrophenoxy)-3-fluoro-2-nitrobenzene
SMILESO=[N+]([O-])c1ccc(Oc2cccc(F)c2[N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C12H6ClFN2O5/c13-8-6-7(15(17)18)4-5-10(8)21-11-3-1-2-9(14)12(11)16(19)20/h1-6H
InChIKeyVDIPKJGLKHOBSK-UHFFFAOYSA-N
XLogP4.09
TPSA95.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.64
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-1-(2,4-dichlorophenoxy)-4-nitrobenzene
CID 2726875
1,3-dichloro-2-(2-chloro-4-nitrophenoxy)benzene
CID 2794565
2-chloro-1-[4-chloro-2-(chloromethyl)phenoxy]-4-nitrobenzene
CID 114847061
[2-(2-chloro-4-nitrophenoxy)-5-fluorophenyl]methanol
CID 61030555
1-chloro-2-(chloromethyl)-3-(2-fluoro-4-nitrophenoxy)benzene
CID 63566971
4-chloro-2-(2-chloro-4-nitrophenoxy)aniline
CID 67390461
1-(3-chloro-4-nitrophenoxy)-3-fluoro-2-nitrobenzene
CID 62665261
3-chloro-4-(2-fluoro-4-nitrophenoxy)benzaldehyde
CID 47453575
[2-(2-chloro-4-nitrophenoxy)phenyl]methanamine
CID 54915300
[3-(2-chloro-4-fluorophenoxy)-2-nitrophenyl]hydrazine
CID 80918331
5-(2-chloro-4-nitrophenoxy)-1,2,3,4-tetrahydronaphthalene
CID 13245975
2-(2-chloro-4-nitrophenoxy)-5-nitrobenzonitrile
CID 4269103

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-nitrophenoxy)-3-fluoro-2-nitrobenzene?
The IUPAC name of 1-(2-chloro-4-nitrophenoxy)-3-fluoro-2-nitrobenzene (CID 62665251) is 1-(2-chloro-4-nitrophenoxy)-3-fluoro-2-nitrobenzene.
What is the SMILES notation for 1-(2-chloro-4-nitrophenoxy)-3-fluoro-2-nitrobenzene?
The canonical SMILES for 1-(2-chloro-4-nitrophenoxy)-3-fluoro-2-nitrobenzene is O=[N+]([O-])c1ccc(Oc2cccc(F)c2[N+](=O)[O-])c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-nitrophenoxy)-3-fluoro-2-nitrobenzene?
The InChIKey is VDIPKJGLKHOBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClFN2O5/c13-8-6-7(15(17)18)4-5-10(8)21-11-3-1-2-9(14)12(11)16(19)20/h1-6H.
What are the key properties of 1-(2-chloro-4-nitrophenoxy)-3-fluoro-2-nitrobenzene?
1-(2-chloro-4-nitrophenoxy)-3-fluoro-2-nitrobenzene has a molecular weight of 312.64 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-nitrophenoxy)-3-fluoro-2-nitrobenzene is sourced from PubChem (CID 62665251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).