ethyl 2-chloro-2-(2-nitrophenyl)acetate

C10H10ClNO4 — CID 104574680

IUPACethyl 2-chloro-2-(2-nitrophenyl)acetate
SMILESCCOC(=O)C(Cl)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H10ClNO4/c1-2-16-10(13)9(11)7-5-3-4-6-8(7)12(14)15/h3-6,9H,2H2,1H3
InChIKeyCLWVPHFPJHSMLA-UHFFFAOYSA-N
MW243.65 g/mol
LogP2.44
Rot. Bonds4

About ethyl 2-chloro-2-(2-nitrophenyl)acetate

ethyl 2-chloro-2-(2-nitrophenyl)acetate (PubChem CID 104574680) has the molecular formula C10H10ClNO4 and a molecular weight of 243.65 g/mol. Its IUPAC name is ethyl 2-chloro-2-(2-nitrophenyl)acetate.

Molecular Properties

Compound Nameethyl 2-chloro-2-(2-nitrophenyl)acetate
PubChem CID104574680
Molecular FormulaC10H10ClNO4
Molecular Weight243.65 g/mol
Exact Mass243.03
IUPAC Nameethyl 2-chloro-2-(2-nitrophenyl)acetate
SMILESCCOC(=O)C(Cl)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H10ClNO4/c1-2-16-10(13)9(11)7-5-3-4-6-8(7)12(14)15/h3-6,9H,2H2,1H3
InChIKeyCLWVPHFPJHSMLA-UHFFFAOYSA-N
XLogP2.44
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.65
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-chloro-2-(4-nitronaphthalen-1-yl)acetate
CID 14667768
ethyl 2,3-dihydroxy-3-(2-nitrophenyl)propanoate
CID 74433580
ethyl (3S)-3-amino-3-(2-nitrophenyl)propanoate
CID 171217838
[(2R,3R)-1-ethoxy-3-hydroxy-3-(2-nitrophenyl)-1-oxopropan-2-yl]azanium
CID 7331741
ethyl (2S)-2-cyano-2-(2-nitrophenyl)acetate
CID 6933994
ethyl (2S)-2-(2-nitrophenyl)-3-oxo-3-phenylpropanoate
CID 7056744
diethyl 2-(2-nitrobenzoyl)propanedioate
CID 5002686
ethyl 2-(2-amino-3-nitrophenyl)propanoate
CID 106987675
ethyl 3-(4-bromophenyl)-2-(2-nitrophenyl)-3-oxopropanoate
CID 89447303
ethyl 6-hydroxy-6-(2-nitrophenyl)hexanoate
CID 102091501
ethyl (2R)-2-chloro-2-(2-phenylphenyl)acetate
CID 124634186
1-O-ethyl 5-O-methyl 4-methylidene-2-nitro-3-(2-nitrophenyl)pentanedioate
CID 101418654

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-2-(2-nitrophenyl)acetate?
The IUPAC name of ethyl 2-chloro-2-(2-nitrophenyl)acetate (CID 104574680) is ethyl 2-chloro-2-(2-nitrophenyl)acetate.
What is the SMILES notation for ethyl 2-chloro-2-(2-nitrophenyl)acetate?
The canonical SMILES for ethyl 2-chloro-2-(2-nitrophenyl)acetate is CCOC(=O)C(Cl)c1ccccc1[N+](=O)[O-].
What is the InChIKey of ethyl 2-chloro-2-(2-nitrophenyl)acetate?
The InChIKey is CLWVPHFPJHSMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO4/c1-2-16-10(13)9(11)7-5-3-4-6-8(7)12(14)15/h3-6,9H,2H2,1H3.
What are the key properties of ethyl 2-chloro-2-(2-nitrophenyl)acetate?
ethyl 2-chloro-2-(2-nitrophenyl)acetate has a molecular weight of 243.65 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-2-(2-nitrophenyl)acetate is sourced from PubChem (CID 104574680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).