1-(3-bromo-5-nitrophenoxy)-2,4-dichlorobenzene

C12H6BrCl2NO3 — CID 169336525

IUPAC1-(3-bromo-5-nitrophenoxy)-2,4-dichlorobenzene
SMILESO=[N+]([O-])c1cc(Br)cc(Oc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C12H6BrCl2NO3/c13-7-3-9(16(17)18)6-10(4-7)19-12-2-1-8(14)5-11(12)15/h1-6H
InChIKeySRPWDFSPYDRNAJ-UHFFFAOYSA-N
MW362.99 g/mol
LogP5.46
Rot. Bonds3

About 1-(3-bromo-5-nitrophenoxy)-2,4-dichlorobenzene

1-(3-bromo-5-nitrophenoxy)-2,4-dichlorobenzene (PubChem CID 169336525) has the molecular formula C12H6BrCl2NO3 and a molecular weight of 362.99 g/mol. Its IUPAC name is 1-(3-bromo-5-nitrophenoxy)-2,4-dichlorobenzene.

Molecular Properties

Compound Name1-(3-bromo-5-nitrophenoxy)-2,4-dichlorobenzene
PubChem CID169336525
Molecular FormulaC12H6BrCl2NO3
Molecular Weight362.99 g/mol
Exact Mass360.89
IUPAC Name1-(3-bromo-5-nitrophenoxy)-2,4-dichlorobenzene
SMILESO=[N+]([O-])c1cc(Br)cc(Oc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C12H6BrCl2NO3/c13-7-3-9(16(17)18)6-10(4-7)19-12-2-1-8(14)5-11(12)15/h1-6H
InChIKeySRPWDFSPYDRNAJ-UHFFFAOYSA-N
XLogP5.46
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.99
LogP ≤ 55.46
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

3-(2,4-dichlorophenoxy)-N-methyl-5-nitroaniline
CID 80869013
2-chloro-1-(2,4-dichlorophenoxy)-4-nitrobenzene
CID 2726875
2-bromo-4-chloro-1-(3-fluoro-5-nitrophenoxy)benzene
CID 80752387
2-chloro-N'-[3-(2,4-dichlorophenoxy)-5-nitrophenyl]ethanimidamide
CID 169366838
2-chloro-1-(3-fluoro-5-nitrophenoxy)-4-nitrobenzene
CID 80753164
2-(3-bromo-5-nitrophenoxy)-6-chloropyridine
CID 103588560
N-[3-(2,4-dichlorophenoxy)-5-nitrophenyl]-4-methylbenzenesulfonamide
CID 169371120
1-[5-bromo-2-(3-bromo-5-nitrophenoxy)phenyl]ethanol
CID 103588878
4-(3-bromo-5-nitrophenoxy)-2-chloropyrimidine
CID 103588576
2-(3-bromo-5-nitrophenoxy)benzoic acid
CID 103588474
3-bromo-2-(3-bromo-5-nitrophenoxy)-5-chloropyridine
CID 103589278
2-chloro-1-(2,4-dibromophenoxy)-4-nitrobenzene
CID 5161397

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-nitrophenoxy)-2,4-dichlorobenzene?
The IUPAC name of 1-(3-bromo-5-nitrophenoxy)-2,4-dichlorobenzene (CID 169336525) is 1-(3-bromo-5-nitrophenoxy)-2,4-dichlorobenzene.
What is the SMILES notation for 1-(3-bromo-5-nitrophenoxy)-2,4-dichlorobenzene?
The canonical SMILES for 1-(3-bromo-5-nitrophenoxy)-2,4-dichlorobenzene is O=[N+]([O-])c1cc(Br)cc(Oc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 1-(3-bromo-5-nitrophenoxy)-2,4-dichlorobenzene?
The InChIKey is SRPWDFSPYDRNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrCl2NO3/c13-7-3-9(16(17)18)6-10(4-7)19-12-2-1-8(14)5-11(12)15/h1-6H.
What are the key properties of 1-(3-bromo-5-nitrophenoxy)-2,4-dichlorobenzene?
1-(3-bromo-5-nitrophenoxy)-2,4-dichlorobenzene has a molecular weight of 362.99 g/mol, XLogP of 5.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-nitrophenoxy)-2,4-dichlorobenzene is sourced from PubChem (CID 169336525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).