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

C12H7BrFNO3 — CID 114673157

IUPAC4-bromo-1-fluoro-2-(2-nitrophenoxy)benzene
SMILESO=[N+]([O-])c1ccccc1Oc1cc(Br)ccc1F
InChIInChI=1S/C12H7BrFNO3/c13-8-5-6-9(14)12(7-8)18-11-4-2-1-3-10(11)15(16)17/h1-7H
InChIKeyXOWIQTQORPXHDY-UHFFFAOYSA-N
MW312.09 g/mol
LogP4.29
Rot. Bonds3

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

4-bromo-1-fluoro-2-(2-nitrophenoxy)benzene (PubChem CID 114673157) has the molecular formula C12H7BrFNO3 and a molecular weight of 312.09 g/mol. Its IUPAC name is 4-bromo-1-fluoro-2-(2-nitrophenoxy)benzene.

Molecular Properties

Compound Name4-bromo-1-fluoro-2-(2-nitrophenoxy)benzene
PubChem CID114673157
Molecular FormulaC12H7BrFNO3
Molecular Weight312.09 g/mol
Exact Mass310.96
IUPAC Name4-bromo-1-fluoro-2-(2-nitrophenoxy)benzene
SMILESO=[N+]([O-])c1ccccc1Oc1cc(Br)ccc1F
InChIInChI=1S/C12H7BrFNO3/c13-8-5-6-9(14)12(7-8)18-11-4-2-1-3-10(11)15(16)17/h1-7H
InChIKeyXOWIQTQORPXHDY-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

4-bromo-1-methyl-2-(2-nitrophenoxy)benzene
CID 107284372
4-bromo-1-fluoro-2-(4-iodo-2-nitrophenoxy)benzene
CID 114673280
4-bromo-2-(2-nitrophenoxy)benzoic acid
CID 61031019
[4-bromo-2-(2-nitrophenoxy)phenyl]methanol
CID 54915296
1-(5-bromo-2-fluorophenoxy)-3-methoxy-2-nitrobenzene
CID 114673044
1-(5-bromo-2-fluorophenoxy)-4-(chloromethyl)-2-nitrobenzene
CID 114674041
2-bromo-4-fluoro-1-(2-nitrophenoxy)benzene
CID 9112165
4-bromo-2-(2-iodophenoxy)-1-nitrobenzene
CID 65341768
methyl 5-bromo-2-(2-nitrophenoxy)benzoate
CID 58522499
1-(2-fluorophenoxy)-2,4-dinitrobenzene
CID 9212888
1-[2-(4-bromo-2-nitrophenoxy)-6-fluorophenyl]ethanone
CID 65431859
1-[5-bromo-2-(bromomethyl)phenoxy]-4-fluoro-2-nitrobenzene
CID 107088360

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-fluoro-2-(2-nitrophenoxy)benzene?
The IUPAC name of 4-bromo-1-fluoro-2-(2-nitrophenoxy)benzene (CID 114673157) is 4-bromo-1-fluoro-2-(2-nitrophenoxy)benzene.
What is the SMILES notation for 4-bromo-1-fluoro-2-(2-nitrophenoxy)benzene?
The canonical SMILES for 4-bromo-1-fluoro-2-(2-nitrophenoxy)benzene is O=[N+]([O-])c1ccccc1Oc1cc(Br)ccc1F.
What is the InChIKey of 4-bromo-1-fluoro-2-(2-nitrophenoxy)benzene?
The InChIKey is XOWIQTQORPXHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrFNO3/c13-8-5-6-9(14)12(7-8)18-11-4-2-1-3-10(11)15(16)17/h1-7H.
What are the key properties of 4-bromo-1-fluoro-2-(2-nitrophenoxy)benzene?
4-bromo-1-fluoro-2-(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 4-bromo-1-fluoro-2-(2-nitrophenoxy)benzene is sourced from PubChem (CID 114673157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).