2-bromo-4-(4-chloro-2-nitrophenoxy)-1-fluorobenzene

C12H6BrClFNO3 — CID 83235030

IUPAC2-bromo-4-(4-chloro-2-nitrophenoxy)-1-fluorobenzene
SMILESO=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(F)c(Br)c1
InChIInChI=1S/C12H6BrClFNO3/c13-9-6-8(2-3-10(9)15)19-12-4-1-7(14)5-11(12)16(17)18/h1-6H
InChIKeyZVLWGIIIVYQLRL-UHFFFAOYSA-N
MW346.54 g/mol
LogP4.94
Rot. Bonds3

About 2-bromo-4-(4-chloro-2-nitrophenoxy)-1-fluorobenzene

2-bromo-4-(4-chloro-2-nitrophenoxy)-1-fluorobenzene (PubChem CID 83235030) has the molecular formula C12H6BrClFNO3 and a molecular weight of 346.54 g/mol. Its IUPAC name is 2-bromo-4-(4-chloro-2-nitrophenoxy)-1-fluorobenzene.

Molecular Properties

Compound Name2-bromo-4-(4-chloro-2-nitrophenoxy)-1-fluorobenzene
PubChem CID83235030
Molecular FormulaC12H6BrClFNO3
Molecular Weight346.54 g/mol
Exact Mass344.92
IUPAC Name2-bromo-4-(4-chloro-2-nitrophenoxy)-1-fluorobenzene
SMILESO=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(F)c(Br)c1
InChIInChI=1S/C12H6BrClFNO3/c13-9-6-8(2-3-10(9)15)19-12-4-1-7(14)5-11(12)16(17)18/h1-6H
InChIKeyZVLWGIIIVYQLRL-UHFFFAOYSA-N
XLogP4.94
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.54
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

1-(3-bromo-4-fluorophenoxy)-4,5-dichloro-2-nitrobenzene
CID 83234613
1-(3-bromo-4-fluorophenoxy)-4-(bromomethyl)-2-nitrobenzene
CID 107089102
4-chloro-1-(4-chloro-2-nitrophenoxy)-2-nitrobenzene
CID 57272170
4-(4-chloro-2-nitrophenoxy)-2-methylbenzonitrile
CID 81281543
2-(3-bromo-4-fluorophenoxy)-5-nitroaniline
CID 83233807
4-(4-chloro-2-fluorophenoxy)-2-methoxy-1-nitrobenzene
CID 131877853
4-(bromomethyl)-1-(3-chloro-4-fluorophenoxy)-2-nitrobenzene
CID 107088558
2-(3-bromo-4-fluorophenoxy)-1,3-dichloro-5-nitrobenzene
CID 106891272
4-(4-chloro-2-nitrophenoxy)benzamide
CID 9108833
2-(3-bromo-4-fluorophenoxy)-5-nitrobenzoic acid
CID 83231977
4-(3-chloro-4-fluorophenoxy)-3-nitrobenzaldehyde
CID 9281846
1-bromo-4-(4-bromo-3-methylphenoxy)-2-fluoro-5-nitrobenzene
CID 83140191

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(4-chloro-2-nitrophenoxy)-1-fluorobenzene?
The IUPAC name of 2-bromo-4-(4-chloro-2-nitrophenoxy)-1-fluorobenzene (CID 83235030) is 2-bromo-4-(4-chloro-2-nitrophenoxy)-1-fluorobenzene.
What is the SMILES notation for 2-bromo-4-(4-chloro-2-nitrophenoxy)-1-fluorobenzene?
The canonical SMILES for 2-bromo-4-(4-chloro-2-nitrophenoxy)-1-fluorobenzene is O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(F)c(Br)c1.
What is the InChIKey of 2-bromo-4-(4-chloro-2-nitrophenoxy)-1-fluorobenzene?
The InChIKey is ZVLWGIIIVYQLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClFNO3/c13-9-6-8(2-3-10(9)15)19-12-4-1-7(14)5-11(12)16(17)18/h1-6H.
What are the key properties of 2-bromo-4-(4-chloro-2-nitrophenoxy)-1-fluorobenzene?
2-bromo-4-(4-chloro-2-nitrophenoxy)-1-fluorobenzene has a molecular weight of 346.54 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(4-chloro-2-nitrophenoxy)-1-fluorobenzene is sourced from PubChem (CID 83235030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).