4-bromo-2-(2-iodophenoxy)-1-nitrobenzene

C12H7BrINO3 — CID 65341768

IUPAC4-bromo-2-(2-iodophenoxy)-1-nitrobenzene
SMILESO=[N+]([O-])c1ccc(Br)cc1Oc1ccccc1I
InChIInChI=1S/C12H7BrINO3/c13-8-5-6-10(15(16)17)12(7-8)18-11-4-2-1-3-9(11)14/h1-7H
InChIKeyHCEBFTIWTUYPHK-UHFFFAOYSA-N
MW420.00 g/mol
LogP4.75
Rot. Bonds3

About 4-bromo-2-(2-iodophenoxy)-1-nitrobenzene

4-bromo-2-(2-iodophenoxy)-1-nitrobenzene (PubChem CID 65341768) has the molecular formula C12H7BrINO3 and a molecular weight of 420.00 g/mol. Its IUPAC name is 4-bromo-2-(2-iodophenoxy)-1-nitrobenzene.

Molecular Properties

Compound Name4-bromo-2-(2-iodophenoxy)-1-nitrobenzene
PubChem CID65341768
Molecular FormulaC12H7BrINO3
Molecular Weight420.00 g/mol
Exact Mass418.87
IUPAC Name4-bromo-2-(2-iodophenoxy)-1-nitrobenzene
SMILESO=[N+]([O-])c1ccc(Br)cc1Oc1ccccc1I
InChIInChI=1S/C12H7BrINO3/c13-8-5-6-10(15(16)17)12(7-8)18-11-4-2-1-3-9(11)14/h1-7H
InChIKeyHCEBFTIWTUYPHK-UHFFFAOYSA-N
XLogP4.75
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.00
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'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-fluoro-2-(2-nitrophenoxy)benzene
CID 114673157
4-bromo-1-methyl-2-(2-nitrophenoxy)benzene
CID 107284372
1-[2-(5-bromo-2-nitrophenoxy)phenyl]-N-methylmethanamine
CID 106485401
[4-bromo-2-(2-nitrophenoxy)phenyl]methanol
CID 54915296
4-bromo-2-(2-nitrophenoxy)benzoic acid
CID 61031019
6-(2-iodophenoxy)-7-nitro-2,3-dihydro-1,4-benzodioxine
CID 60965780
[5-bromo-3-(2-iodophenoxy)-2-nitrophenyl]methanol
CID 90286898
2-(2-bromophenoxy)-4-methyl-1-nitrobenzene
CID 75356396
5-(2-iodophenoxy)-2-nitrobenzonitrile
CID 115500025
4-bromo-2-(5-chloro-2-nitrophenoxy)-1-methylbenzene
CID 107284554
2-(2-iodophenoxy)-6-methyl-3-nitropyridine
CID 81131791
4-bromo-1-nitro-2-propan-2-yloxybenzene
CID 22624321

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2-iodophenoxy)-1-nitrobenzene?
The IUPAC name of 4-bromo-2-(2-iodophenoxy)-1-nitrobenzene (CID 65341768) is 4-bromo-2-(2-iodophenoxy)-1-nitrobenzene.
What is the SMILES notation for 4-bromo-2-(2-iodophenoxy)-1-nitrobenzene?
The canonical SMILES for 4-bromo-2-(2-iodophenoxy)-1-nitrobenzene is O=[N+]([O-])c1ccc(Br)cc1Oc1ccccc1I.
What is the InChIKey of 4-bromo-2-(2-iodophenoxy)-1-nitrobenzene?
The InChIKey is HCEBFTIWTUYPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrINO3/c13-8-5-6-10(15(16)17)12(7-8)18-11-4-2-1-3-9(11)14/h1-7H.
What are the key properties of 4-bromo-2-(2-iodophenoxy)-1-nitrobenzene?
4-bromo-2-(2-iodophenoxy)-1-nitrobenzene has a molecular weight of 420.00 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2-iodophenoxy)-1-nitrobenzene is sourced from PubChem (CID 65341768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).