carbonyl dichloride;3-ethyl-1,2-oxazole

C6H7Cl2NO2 — CID 21092928

IUPACcarbonyl dichloride;3-ethyl-1,2-oxazole
SMILESCCc1ccon1.O=C(Cl)Cl
InChIInChI=1S/C5H7NO.CCl2O/c1-2-5-3-4-7-6-5;2-1(3)4/h3-4H,2H2,1H3;
InChIKeyBTMJTQWKMRLUKB-UHFFFAOYSA-N
MW196.03 g/mol
LogP2.82
Rot. Bonds1

About carbonyl dichloride;3-ethyl-1,2-oxazole

carbonyl dichloride;3-ethyl-1,2-oxazole (PubChem CID 21092928) has the molecular formula C6H7Cl2NO2 and a molecular weight of 196.03 g/mol. Its IUPAC name is carbonyl dichloride;3-ethyl-1,2-oxazole.

Molecular Properties

Compound Namecarbonyl dichloride;3-ethyl-1,2-oxazole
PubChem CID21092928
Molecular FormulaC6H7Cl2NO2
Molecular Weight196.03 g/mol
Exact Mass194.99
IUPAC Namecarbonyl dichloride;3-ethyl-1,2-oxazole
SMILESCCc1ccon1.O=C(Cl)Cl
InChIInChI=1S/C5H7NO.CCl2O/c1-2-5-3-4-7-6-5;2-1(3)4/h3-4H,2H2,1H3;
InChIKeyBTMJTQWKMRLUKB-UHFFFAOYSA-N
XLogP2.82
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.03
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbonyl dichloride;3-ethyl-1,2-oxazole?
The IUPAC name of carbonyl dichloride;3-ethyl-1,2-oxazole (CID 21092928) is carbonyl dichloride;3-ethyl-1,2-oxazole.
What is the SMILES notation for carbonyl dichloride;3-ethyl-1,2-oxazole?
The canonical SMILES for carbonyl dichloride;3-ethyl-1,2-oxazole is CCc1ccon1.O=C(Cl)Cl.
What is the InChIKey of carbonyl dichloride;3-ethyl-1,2-oxazole?
The InChIKey is BTMJTQWKMRLUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO.CCl2O/c1-2-5-3-4-7-6-5;2-1(3)4/h3-4H,2H2,1H3;.
What are the key properties of carbonyl dichloride;3-ethyl-1,2-oxazole?
carbonyl dichloride;3-ethyl-1,2-oxazole has a molecular weight of 196.03 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonyl dichloride;3-ethyl-1,2-oxazole is sourced from PubChem (CID 21092928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).