1-(4-bromo-2-nitrophenoxy)-4-methoxy-2-nitrobenzene

C13H9BrN2O6 — CID 55502713

IUPAC1-(4-bromo-2-nitrophenoxy)-4-methoxy-2-nitrobenzene
SMILESCOc1ccc(Oc2ccc(Br)cc2[N+](=O)[O-])c([N+](=O)[O-])c1
InChIInChI=1S/C13H9BrN2O6/c1-21-9-3-5-13(11(7-9)16(19)20)22-12-4-2-8(14)6-10(12)15(17)18/h2-7H,1H3
InChIKeyDYEBSEDNFSUJBD-UHFFFAOYSA-N
MW369.13 g/mol
LogP4.07
Rot. Bonds5

About 1-(4-bromo-2-nitrophenoxy)-4-methoxy-2-nitrobenzene

1-(4-bromo-2-nitrophenoxy)-4-methoxy-2-nitrobenzene (PubChem CID 55502713) has the molecular formula C13H9BrN2O6 and a molecular weight of 369.13 g/mol. Its IUPAC name is 1-(4-bromo-2-nitrophenoxy)-4-methoxy-2-nitrobenzene.

Molecular Properties

Compound Name1-(4-bromo-2-nitrophenoxy)-4-methoxy-2-nitrobenzene
PubChem CID55502713
Molecular FormulaC13H9BrN2O6
Molecular Weight369.13 g/mol
Exact Mass367.96
IUPAC Name1-(4-bromo-2-nitrophenoxy)-4-methoxy-2-nitrobenzene
SMILESCOc1ccc(Oc2ccc(Br)cc2[N+](=O)[O-])c([N+](=O)[O-])c1
InChIInChI=1S/C13H9BrN2O6/c1-21-9-3-5-13(11(7-9)16(19)20)22-12-4-2-8(14)6-10(12)15(17)18/h2-7H,1H3
InChIKeyDYEBSEDNFSUJBD-UHFFFAOYSA-N
XLogP4.07
TPSA104.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.13
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(2,4-dibromophenoxy)-4-methoxy-1-nitrobenzene
CID 18406541
5-bromo-3-chloro-2-(4-methoxy-2-nitrophenoxy)pyridine
CID 103583671
4-(4-methoxy-2-nitrophenoxy)aniline
CID 54908814
2-bromo-5-(4-bromo-2-nitrophenoxy)-1,3-dimethylbenzene
CID 107724090
4-methoxy-1-(4-methylsulfonylphenoxy)-2-nitrobenzene
CID 163575479
4-bromo-2-nitro-1-(4-propoxyphenoxy)benzene
CID 63462706
5-bromo-2-(4-bromo-2-nitrophenoxy)benzonitrile
CID 114891071
[4-bromo-2-(5-methoxy-2-nitrophenoxy)phenyl]methanamine
CID 102702893
5-bromo-2-[(4-methoxy-2-nitrophenoxy)methyl]pyridine
CID 104809840
5-bromo-4-(4-methoxy-2-nitrophenoxy)-1H-pyrimidin-6-one
CID 114676323
5-bromo-2-(4-bromo-2-nitrophenoxy)-3-nitropyridine
CID 65430932
5-bromo-2-(4-bromo-2-nitrophenoxy)-3-chloropyridine
CID 103583721

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-nitrophenoxy)-4-methoxy-2-nitrobenzene?
The IUPAC name of 1-(4-bromo-2-nitrophenoxy)-4-methoxy-2-nitrobenzene (CID 55502713) is 1-(4-bromo-2-nitrophenoxy)-4-methoxy-2-nitrobenzene.
What is the SMILES notation for 1-(4-bromo-2-nitrophenoxy)-4-methoxy-2-nitrobenzene?
The canonical SMILES for 1-(4-bromo-2-nitrophenoxy)-4-methoxy-2-nitrobenzene is COc1ccc(Oc2ccc(Br)cc2[N+](=O)[O-])c([N+](=O)[O-])c1.
What is the InChIKey of 1-(4-bromo-2-nitrophenoxy)-4-methoxy-2-nitrobenzene?
The InChIKey is DYEBSEDNFSUJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2O6/c1-21-9-3-5-13(11(7-9)16(19)20)22-12-4-2-8(14)6-10(12)15(17)18/h2-7H,1H3.
What are the key properties of 1-(4-bromo-2-nitrophenoxy)-4-methoxy-2-nitrobenzene?
1-(4-bromo-2-nitrophenoxy)-4-methoxy-2-nitrobenzene has a molecular weight of 369.13 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-nitrophenoxy)-4-methoxy-2-nitrobenzene is sourced from PubChem (CID 55502713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).