4-chloro-2-ethoxy-1-nitrobenzene

C8H8ClNO3 — CID 675064

IUPAC4-chloro-2-ethoxy-1-nitrobenzene
SMILESCCOc1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C8H8ClNO3/c1-2-13-8-5-6(9)3-4-7(8)10(11)12/h3-5H,2H2,1H3
InChIKeyYYQSMJVVERBZPU-UHFFFAOYSA-N
MW201.61 g/mol
LogP2.65
Rot. Bonds3

About 4-chloro-2-ethoxy-1-nitrobenzene

4-chloro-2-ethoxy-1-nitrobenzene (PubChem CID 675064) has the molecular formula C8H8ClNO3 and a molecular weight of 201.61 g/mol. Its IUPAC name is 4-chloro-2-ethoxy-1-nitrobenzene.

Molecular Properties

Compound Name4-chloro-2-ethoxy-1-nitrobenzene
PubChem CID675064
Molecular FormulaC8H8ClNO3
Molecular Weight201.61 g/mol
Exact Mass201.02
IUPAC Name4-chloro-2-ethoxy-1-nitrobenzene
SMILESCCOc1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C8H8ClNO3/c1-2-13-8-5-6(9)3-4-7(8)10(11)12/h3-5H,2H2,1H3
InChIKeyYYQSMJVVERBZPU-UHFFFAOYSA-N
XLogP2.65
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.61
LogP ≤ 52.65
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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethoxy-1-nitrobenzene?
The IUPAC name of 4-chloro-2-ethoxy-1-nitrobenzene (CID 675064) is 4-chloro-2-ethoxy-1-nitrobenzene.
What is the SMILES notation for 4-chloro-2-ethoxy-1-nitrobenzene?
The canonical SMILES for 4-chloro-2-ethoxy-1-nitrobenzene is CCOc1cc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 4-chloro-2-ethoxy-1-nitrobenzene?
The InChIKey is YYQSMJVVERBZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO3/c1-2-13-8-5-6(9)3-4-7(8)10(11)12/h3-5H,2H2,1H3.
What are the key properties of 4-chloro-2-ethoxy-1-nitrobenzene?
4-chloro-2-ethoxy-1-nitrobenzene has a molecular weight of 201.61 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethoxy-1-nitrobenzene is sourced from PubChem (CID 675064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).