2-bromo-4-chloro-1-(3-fluoro-5-nitrophenoxy)benzene

C12H6BrClFNO3 — CID 80752387

IUPAC2-bromo-4-chloro-1-(3-fluoro-5-nitrophenoxy)benzene
SMILESO=[N+]([O-])c1cc(F)cc(Oc2ccc(Cl)cc2Br)c1
InChIInChI=1S/C12H6BrClFNO3/c13-11-3-7(14)1-2-12(11)19-10-5-8(15)4-9(6-10)16(17)18/h1-6H
InChIKeyFDCIGHHIPMODBN-UHFFFAOYSA-N
MW346.54 g/mol
LogP4.94
Rot. Bonds3

About 2-bromo-4-chloro-1-(3-fluoro-5-nitrophenoxy)benzene

2-bromo-4-chloro-1-(3-fluoro-5-nitrophenoxy)benzene (PubChem CID 80752387) has the molecular formula C12H6BrClFNO3 and a molecular weight of 346.54 g/mol. Its IUPAC name is 2-bromo-4-chloro-1-(3-fluoro-5-nitrophenoxy)benzene.

Molecular Properties

Compound Name2-bromo-4-chloro-1-(3-fluoro-5-nitrophenoxy)benzene
PubChem CID80752387
Molecular FormulaC12H6BrClFNO3
Molecular Weight346.54 g/mol
Exact Mass344.92
IUPAC Name2-bromo-4-chloro-1-(3-fluoro-5-nitrophenoxy)benzene
SMILESO=[N+]([O-])c1cc(F)cc(Oc2ccc(Cl)cc2Br)c1
InChIInChI=1S/C12H6BrClFNO3/c13-11-3-7(14)1-2-12(11)19-10-5-8(15)4-9(6-10)16(17)18/h1-6H
InChIKeyFDCIGHHIPMODBN-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

2-chloro-1-(3-fluoro-5-nitrophenoxy)-4-nitrobenzene
CID 80753164
4-chloro-2-(3-fluoro-5-nitrophenoxy)benzoic acid
CID 61396053
1-(3-chlorophenoxy)-3-fluoro-5-nitrobenzene
CID 80753305
1-(3-bromo-5-nitrophenoxy)-2,4-dichlorobenzene
CID 169336525
5-bromo-2-(3-fluoro-5-nitrophenoxy)benzoic acid
CID 104629583
1-(3-fluoro-5-nitrophenoxy)-2,4-dimethylbenzene
CID 80752885
2-chloro-5-(3-fluoro-5-nitrophenoxy)-1,3-dimethylbenzene
CID 80751937
2-bromo-4-(4-chloro-2-nitrophenoxy)-1-fluorobenzene
CID 83235030
2-bromo-1-(3,4-dichlorophenoxy)-4-nitrobenzene
CID 1491144
1-(3-fluoro-5-nitrophenoxy)-2-methyl-3-nitrobenzene
CID 80753064
2-ethyl-3-(3-fluoro-5-nitrophenoxy)-6-methylpyridine
CID 103174627
1-(3,5-dimethoxyphenoxy)-3-fluoro-5-nitrobenzene
CID 80752219

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-1-(3-fluoro-5-nitrophenoxy)benzene?
The IUPAC name of 2-bromo-4-chloro-1-(3-fluoro-5-nitrophenoxy)benzene (CID 80752387) is 2-bromo-4-chloro-1-(3-fluoro-5-nitrophenoxy)benzene.
What is the SMILES notation for 2-bromo-4-chloro-1-(3-fluoro-5-nitrophenoxy)benzene?
The canonical SMILES for 2-bromo-4-chloro-1-(3-fluoro-5-nitrophenoxy)benzene is O=[N+]([O-])c1cc(F)cc(Oc2ccc(Cl)cc2Br)c1.
What is the InChIKey of 2-bromo-4-chloro-1-(3-fluoro-5-nitrophenoxy)benzene?
The InChIKey is FDCIGHHIPMODBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClFNO3/c13-11-3-7(14)1-2-12(11)19-10-5-8(15)4-9(6-10)16(17)18/h1-6H.
What are the key properties of 2-bromo-4-chloro-1-(3-fluoro-5-nitrophenoxy)benzene?
2-bromo-4-chloro-1-(3-fluoro-5-nitrophenoxy)benzene 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-chloro-1-(3-fluoro-5-nitrophenoxy)benzene is sourced from PubChem (CID 80752387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).