2,4-dichloro-3-(3-methyl-1,2-oxazol-5-yl)benzoyl chloride

C11H6Cl3NO2 — CID 22114946

IUPAC2,4-dichloro-3-(3-methyl-1,2-oxazol-5-yl)benzoyl chloride
SMILESCc1cc(-c2c(Cl)ccc(C(=O)Cl)c2Cl)on1
InChIInChI=1S/C11H6Cl3NO2/c1-5-4-8(17-15-5)9-7(12)3-2-6(10(9)13)11(14)16/h2-4H,1H3
InChIKeyDHMSRDWEFUZUJQ-UHFFFAOYSA-N
MW290.53 g/mol
LogP4.34
Rot. Bonds2

About 2,4-dichloro-3-(3-methyl-1,2-oxazol-5-yl)benzoyl chloride

2,4-dichloro-3-(3-methyl-1,2-oxazol-5-yl)benzoyl chloride (PubChem CID 22114946) has the molecular formula C11H6Cl3NO2 and a molecular weight of 290.53 g/mol. Its IUPAC name is 2,4-dichloro-3-(3-methyl-1,2-oxazol-5-yl)benzoyl chloride.

Molecular Properties

Compound Name2,4-dichloro-3-(3-methyl-1,2-oxazol-5-yl)benzoyl chloride
PubChem CID22114946
Molecular FormulaC11H6Cl3NO2
Molecular Weight290.53 g/mol
Exact Mass288.95
IUPAC Name2,4-dichloro-3-(3-methyl-1,2-oxazol-5-yl)benzoyl chloride
SMILESCc1cc(-c2c(Cl)ccc(C(=O)Cl)c2Cl)on1
InChIInChI=1S/C11H6Cl3NO2/c1-5-4-8(17-15-5)9-7(12)3-2-6(10(9)13)11(14)16/h2-4H,1H3
InChIKeyDHMSRDWEFUZUJQ-UHFFFAOYSA-N
XLogP4.34
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.53
LogP ≤ 54.34
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 2,4-dichloro-3-(3-methyl-1,2-oxazol-5-yl)benzoyl chloride?
The IUPAC name of 2,4-dichloro-3-(3-methyl-1,2-oxazol-5-yl)benzoyl chloride (CID 22114946) is 2,4-dichloro-3-(3-methyl-1,2-oxazol-5-yl)benzoyl chloride.
What is the SMILES notation for 2,4-dichloro-3-(3-methyl-1,2-oxazol-5-yl)benzoyl chloride?
The canonical SMILES for 2,4-dichloro-3-(3-methyl-1,2-oxazol-5-yl)benzoyl chloride is Cc1cc(-c2c(Cl)ccc(C(=O)Cl)c2Cl)on1.
What is the InChIKey of 2,4-dichloro-3-(3-methyl-1,2-oxazol-5-yl)benzoyl chloride?
The InChIKey is DHMSRDWEFUZUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl3NO2/c1-5-4-8(17-15-5)9-7(12)3-2-6(10(9)13)11(14)16/h2-4H,1H3.
What are the key properties of 2,4-dichloro-3-(3-methyl-1,2-oxazol-5-yl)benzoyl chloride?
2,4-dichloro-3-(3-methyl-1,2-oxazol-5-yl)benzoyl chloride has a molecular weight of 290.53 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-(3-methyl-1,2-oxazol-5-yl)benzoyl chloride is sourced from PubChem (CID 22114946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).