2-bromo-4-fluoro-1-(2-nitrophenoxy)benzene

C12H7BrFNO3 — CID 9112165

IUPAC2-bromo-4-fluoro-1-(2-nitrophenoxy)benzene
SMILESO=[N+]([O-])c1ccccc1Oc1ccc(F)cc1Br
InChIInChI=1S/C12H7BrFNO3/c13-9-7-8(14)5-6-11(9)18-12-4-2-1-3-10(12)15(16)17/h1-7H
InChIKeyZVHDTDRDSSBHJG-UHFFFAOYSA-N
MW312.09 g/mol
LogP4.29
Rot. Bonds3

About 2-bromo-4-fluoro-1-(2-nitrophenoxy)benzene

2-bromo-4-fluoro-1-(2-nitrophenoxy)benzene (PubChem CID 9112165) has the molecular formula C12H7BrFNO3 and a molecular weight of 312.09 g/mol. Its IUPAC name is 2-bromo-4-fluoro-1-(2-nitrophenoxy)benzene.

Molecular Properties

Compound Name2-bromo-4-fluoro-1-(2-nitrophenoxy)benzene
PubChem CID9112165
Molecular FormulaC12H7BrFNO3
Molecular Weight312.09 g/mol
Exact Mass310.96
IUPAC Name2-bromo-4-fluoro-1-(2-nitrophenoxy)benzene
SMILESO=[N+]([O-])c1ccccc1Oc1ccc(F)cc1Br
InChIInChI=1S/C12H7BrFNO3/c13-9-7-8(14)5-6-11(9)18-12-4-2-1-3-10(12)15(16)17/h1-7H
InChIKeyZVHDTDRDSSBHJG-UHFFFAOYSA-N
XLogP4.29
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.09
LogP ≤ 54.29
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-(2-bromo-4-fluorophenoxy)-1-methyl-3-nitrobenzene
CID 115551202
4-(2-bromo-4-fluorophenoxy)-3-nitrobenzonitrile
CID 34040057
5-fluoro-2-(2-nitrophenoxy)benzonitrile
CID 63668372
1-(2-bromo-4-fluorophenoxy)-5-fluoro-4-iodo-2-nitrobenzene
CID 66086759
4-(2-bromo-4-fluorophenoxy)-2-methoxy-1-nitrobenzene
CID 63672086
4-bromo-1-fluoro-2-(2-nitrophenoxy)benzene
CID 114673157
(1S)-1-[5-fluoro-2-(2-nitrophenoxy)phenyl]ethanol
CID 78941827
(1R)-1-[5-fluoro-2-(2-nitrophenoxy)phenyl]ethanol
CID 63374530
1-[5-fluoro-2-(2-nitrophenoxy)phenyl]ethanamine
CID 61032159
(1R)-1-[5-fluoro-2-(2-nitrophenoxy)phenyl]ethanamine
CID 63370153
4-fluoro-2-(2-nitrophenoxy)benzoic acid
CID 107016486
2-(2-bromo-4-fluorophenoxy)-6-methyl-3-nitropyridine
CID 81133094

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-1-(2-nitrophenoxy)benzene?
The IUPAC name of 2-bromo-4-fluoro-1-(2-nitrophenoxy)benzene (CID 9112165) is 2-bromo-4-fluoro-1-(2-nitrophenoxy)benzene.
What is the SMILES notation for 2-bromo-4-fluoro-1-(2-nitrophenoxy)benzene?
The canonical SMILES for 2-bromo-4-fluoro-1-(2-nitrophenoxy)benzene is O=[N+]([O-])c1ccccc1Oc1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-1-(2-nitrophenoxy)benzene?
The InChIKey is ZVHDTDRDSSBHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrFNO3/c13-9-7-8(14)5-6-11(9)18-12-4-2-1-3-10(12)15(16)17/h1-7H.
What are the key properties of 2-bromo-4-fluoro-1-(2-nitrophenoxy)benzene?
2-bromo-4-fluoro-1-(2-nitrophenoxy)benzene has a molecular weight of 312.09 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-1-(2-nitrophenoxy)benzene is sourced from PubChem (CID 9112165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).