ethyl 2-(2-chloro-3-nitrophenoxy)acetate

C10H10ClNO5 — CID 91997015

IUPACethyl 2-(2-chloro-3-nitrophenoxy)acetate
SMILESCCOC(=O)COc1cccc([N+](=O)[O-])c1Cl
InChIInChI=1S/C10H10ClNO5/c1-2-16-9(13)6-17-8-5-3-4-7(10(8)11)12(14)15/h3-5H,2,6H2,1H3
InChIKeyHLFDQOOONJKJCO-UHFFFAOYSA-N
MW259.64 g/mol
LogP2.19
Rot. Bonds5

About ethyl 2-(2-chloro-3-nitrophenoxy)acetate

ethyl 2-(2-chloro-3-nitrophenoxy)acetate (PubChem CID 91997015) has the molecular formula C10H10ClNO5 and a molecular weight of 259.64 g/mol. Its IUPAC name is ethyl 2-(2-chloro-3-nitrophenoxy)acetate.

Molecular Properties

Compound Nameethyl 2-(2-chloro-3-nitrophenoxy)acetate
PubChem CID91997015
Molecular FormulaC10H10ClNO5
Molecular Weight259.64 g/mol
Exact Mass259.02
IUPAC Nameethyl 2-(2-chloro-3-nitrophenoxy)acetate
SMILESCCOC(=O)COc1cccc([N+](=O)[O-])c1Cl
InChIInChI=1S/C10H10ClNO5/c1-2-16-9(13)6-17-8-5-3-4-7(10(8)11)12(14)15/h3-5H,2,6H2,1H3
InChIKeyHLFDQOOONJKJCO-UHFFFAOYSA-N
XLogP2.19
TPSA78.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.64
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-chloro-3-nitrophenyl) acetate
CID 70379964
2-(2,6-dichlorophenoxy)ethyl 2-(2-nitrophenoxy)acetate
CID 7789050
2-(2-methyl-3-nitrophenoxy)acetamide
CID 47214184
ethyl 2-[2-(2-ethoxy-2-oxoethoxy)-5-(hydroxymethyl)-4-nitrophenoxy]acetate
CID 23523591
ethyl 2-[5-(3-aminophenoxy)-2-nitrophenoxy]acetate
CID 23393974
(2S)-2-(2-chloro-3-nitrophenoxy)propanoic acid
CID 90041073
ethyl 2-[2-(2-ethoxy-2-oxoethoxy)-4-nitrophenoxy]acetate
CID 12678067
ethyl 2-[5-(bromomethyl)-2-(2-ethoxy-2-oxoethoxy)-4-nitrophenoxy]acetate
CID 23523593
tert-butyl 2-(2-amino-3-nitrophenoxy)acetate
CID 86067567
ethyl 2-(2-chloro-6-nitroanilino)acetate
CID 62083715
ethyl 4-[(2-chloro-3-nitrobenzoyl)amino]butanoate
CID 115931277
ethyl 2-[3-[(4-chloro-2-nitrobenzoyl)amino]phenoxy]acetate
CID 46401688

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-chloro-3-nitrophenoxy)acetate?
The IUPAC name of ethyl 2-(2-chloro-3-nitrophenoxy)acetate (CID 91997015) is ethyl 2-(2-chloro-3-nitrophenoxy)acetate.
What is the SMILES notation for ethyl 2-(2-chloro-3-nitrophenoxy)acetate?
The canonical SMILES for ethyl 2-(2-chloro-3-nitrophenoxy)acetate is CCOC(=O)COc1cccc([N+](=O)[O-])c1Cl.
What is the InChIKey of ethyl 2-(2-chloro-3-nitrophenoxy)acetate?
The InChIKey is HLFDQOOONJKJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO5/c1-2-16-9(13)6-17-8-5-3-4-7(10(8)11)12(14)15/h3-5H,2,6H2,1H3.
What are the key properties of ethyl 2-(2-chloro-3-nitrophenoxy)acetate?
ethyl 2-(2-chloro-3-nitrophenoxy)acetate has a molecular weight of 259.64 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-chloro-3-nitrophenoxy)acetate is sourced from PubChem (CID 91997015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).