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

C9H10BrNO4 — CID 61373055

IUPAC4-bromo-1-(2-methoxyethoxy)-2-nitrobenzene
SMILESCOCCOc1ccc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C9H10BrNO4/c1-14-4-5-15-9-3-2-7(10)6-8(9)11(12)13/h2-3,6H,4-5H2,1H3
InChIKeyJDMAYXLFPMODFC-UHFFFAOYSA-N
MW276.09 g/mol
LogP2.38
Rot. Bonds5

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

4-bromo-1-(2-methoxyethoxy)-2-nitrobenzene (PubChem CID 61373055) has the molecular formula C9H10BrNO4 and a molecular weight of 276.09 g/mol. Its IUPAC name is 4-bromo-1-(2-methoxyethoxy)-2-nitrobenzene.

Molecular Properties

Compound Name4-bromo-1-(2-methoxyethoxy)-2-nitrobenzene
PubChem CID61373055
Molecular FormulaC9H10BrNO4
Molecular Weight276.09 g/mol
Exact Mass274.98
IUPAC Name4-bromo-1-(2-methoxyethoxy)-2-nitrobenzene
SMILESCOCCOc1ccc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C9H10BrNO4/c1-14-4-5-15-9-3-2-7(10)6-8(9)11(12)13/h2-3,6H,4-5H2,1H3
InChIKeyJDMAYXLFPMODFC-UHFFFAOYSA-N
XLogP2.38
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.09
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(2-methoxyethoxy)-2-nitrobenzene?
The IUPAC name of 4-bromo-1-(2-methoxyethoxy)-2-nitrobenzene (CID 61373055) is 4-bromo-1-(2-methoxyethoxy)-2-nitrobenzene.
What is the SMILES notation for 4-bromo-1-(2-methoxyethoxy)-2-nitrobenzene?
The canonical SMILES for 4-bromo-1-(2-methoxyethoxy)-2-nitrobenzene is COCCOc1ccc(Br)cc1[N+](=O)[O-].
What is the InChIKey of 4-bromo-1-(2-methoxyethoxy)-2-nitrobenzene?
The InChIKey is JDMAYXLFPMODFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO4/c1-14-4-5-15-9-3-2-7(10)6-8(9)11(12)13/h2-3,6H,4-5H2,1H3.
What are the key properties of 4-bromo-1-(2-methoxyethoxy)-2-nitrobenzene?
4-bromo-1-(2-methoxyethoxy)-2-nitrobenzene has a molecular weight of 276.09 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(2-methoxyethoxy)-2-nitrobenzene is sourced from PubChem (CID 61373055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).