2-chloro-2-hydroxyiminoacetic acid;ethyl acetate

C6H10ClNO5 — CID 161411717

IUPAC2-chloro-2-hydroxyiminoacetic acid;ethyl acetate
SMILESCCOC(C)=O.O=C(O)C(Cl)=NO
InChIInChI=1S/C4H8O2.C2H2ClNO3/c1-3-6-4(2)5;3-1(4-7)2(5)6/h3H2,1-2H3;7H,(H,5,6)
InChIKeyVVNZEIMQASZAFK-UHFFFAOYSA-N
MW211.60 g/mol
LogP0.67
Rot. Bonds2

About 2-chloro-2-hydroxyiminoacetic acid;ethyl acetate

2-chloro-2-hydroxyiminoacetic acid;ethyl acetate (PubChem CID 161411717) has the molecular formula C6H10ClNO5 and a molecular weight of 211.60 g/mol. Its IUPAC name is 2-chloro-2-hydroxyiminoacetic acid;ethyl acetate.

Molecular Properties

Compound Name2-chloro-2-hydroxyiminoacetic acid;ethyl acetate
PubChem CID161411717
Molecular FormulaC6H10ClNO5
Molecular Weight211.60 g/mol
Exact Mass211.02
IUPAC Name2-chloro-2-hydroxyiminoacetic acid;ethyl acetate
SMILESCCOC(C)=O.O=C(O)C(Cl)=NO
InChIInChI=1S/C4H8O2.C2H2ClNO3/c1-3-6-4(2)5;3-1(4-7)2(5)6/h3H2,1-2H3;7H,(H,5,6)
InChIKeyVVNZEIMQASZAFK-UHFFFAOYSA-N
XLogP0.67
TPSA96.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.60
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-hydroxyiminoacetic acid;ethyl acetate?
The IUPAC name of 2-chloro-2-hydroxyiminoacetic acid;ethyl acetate (CID 161411717) is 2-chloro-2-hydroxyiminoacetic acid;ethyl acetate.
What is the SMILES notation for 2-chloro-2-hydroxyiminoacetic acid;ethyl acetate?
The canonical SMILES for 2-chloro-2-hydroxyiminoacetic acid;ethyl acetate is CCOC(C)=O.O=C(O)C(Cl)=NO.
What is the InChIKey of 2-chloro-2-hydroxyiminoacetic acid;ethyl acetate?
The InChIKey is VVNZEIMQASZAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.C2H2ClNO3/c1-3-6-4(2)5;3-1(4-7)2(5)6/h3H2,1-2H3;7H,(H,5,6).
What are the key properties of 2-chloro-2-hydroxyiminoacetic acid;ethyl acetate?
2-chloro-2-hydroxyiminoacetic acid;ethyl acetate has a molecular weight of 211.60 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-hydroxyiminoacetic acid;ethyl acetate is sourced from PubChem (CID 161411717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).