ethyl 2-(2,3-dichloro-4-nitrophenyl)acetate

C10H9Cl2NO4 — CID 162343502

IUPACethyl 2-(2,3-dichloro-4-nitrophenyl)acetate
SMILESCCOC(=O)Cc1ccc([N+](=O)[O-])c(Cl)c1Cl
InChIInChI=1S/C10H9Cl2NO4/c1-2-17-8(14)5-6-3-4-7(13(15)16)10(12)9(6)11/h3-4H,2,5H2,1H3
InChIKeyAWRUXUILIFYYDL-UHFFFAOYSA-N
MW278.09 g/mol
LogP3.01
Rot. Bonds4

About ethyl 2-(2,3-dichloro-4-nitrophenyl)acetate

ethyl 2-(2,3-dichloro-4-nitrophenyl)acetate (PubChem CID 162343502) has the molecular formula C10H9Cl2NO4 and a molecular weight of 278.09 g/mol. Its IUPAC name is ethyl 2-(2,3-dichloro-4-nitrophenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2,3-dichloro-4-nitrophenyl)acetate
PubChem CID162343502
Molecular FormulaC10H9Cl2NO4
Molecular Weight278.09 g/mol
Exact Mass276.99
IUPAC Nameethyl 2-(2,3-dichloro-4-nitrophenyl)acetate
SMILESCCOC(=O)Cc1ccc([N+](=O)[O-])c(Cl)c1Cl
InChIInChI=1S/C10H9Cl2NO4/c1-2-17-8(14)5-6-3-4-7(13(15)16)10(12)9(6)11/h3-4H,2,5H2,1H3
InChIKeyAWRUXUILIFYYDL-UHFFFAOYSA-N
XLogP3.01
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.09
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 ethyl 2-(2,3-dichloro-4-nitrophenyl)acetate?
The IUPAC name of ethyl 2-(2,3-dichloro-4-nitrophenyl)acetate (CID 162343502) is ethyl 2-(2,3-dichloro-4-nitrophenyl)acetate.
What is the SMILES notation for ethyl 2-(2,3-dichloro-4-nitrophenyl)acetate?
The canonical SMILES for ethyl 2-(2,3-dichloro-4-nitrophenyl)acetate is CCOC(=O)Cc1ccc([N+](=O)[O-])c(Cl)c1Cl.
What is the InChIKey of ethyl 2-(2,3-dichloro-4-nitrophenyl)acetate?
The InChIKey is AWRUXUILIFYYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO4/c1-2-17-8(14)5-6-3-4-7(13(15)16)10(12)9(6)11/h3-4H,2,5H2,1H3.
What are the key properties of ethyl 2-(2,3-dichloro-4-nitrophenyl)acetate?
ethyl 2-(2,3-dichloro-4-nitrophenyl)acetate has a molecular weight of 278.09 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,3-dichloro-4-nitrophenyl)acetate is sourced from PubChem (CID 162343502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).