2-(3,5-dibromo-4-methoxyphenyl)acetyl chloride

C9H7Br2ClO2 — CID 18184515

IUPAC2-(3,5-dibromo-4-methoxyphenyl)acetyl chloride
SMILESCOc1c(Br)cc(CC(=O)Cl)cc1Br
InChIInChI=1S/C9H7Br2ClO2/c1-14-9-6(10)2-5(3-7(9)11)4-8(12)13/h2-3H,4H2,1H3
InChIKeyOMQKRDQLMZZTFH-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.53
Rot. Bonds3

About 2-(3,5-dibromo-4-methoxyphenyl)acetyl chloride

2-(3,5-dibromo-4-methoxyphenyl)acetyl chloride (PubChem CID 18184515) has the molecular formula C9H7Br2ClO2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 2-(3,5-dibromo-4-methoxyphenyl)acetyl chloride.

Molecular Properties

Compound Name2-(3,5-dibromo-4-methoxyphenyl)acetyl chloride
PubChem CID18184515
Molecular FormulaC9H7Br2ClO2
Molecular Weight342.41 g/mol
Exact Mass339.85
IUPAC Name2-(3,5-dibromo-4-methoxyphenyl)acetyl chloride
SMILESCOc1c(Br)cc(CC(=O)Cl)cc1Br
InChIInChI=1S/C9H7Br2ClO2/c1-14-9-6(10)2-5(3-7(9)11)4-8(12)13/h2-3H,4H2,1H3
InChIKeyOMQKRDQLMZZTFH-UHFFFAOYSA-N
XLogP3.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(3,5-dibromo-4-methoxyphenyl)acetyl chloride?
The IUPAC name of 2-(3,5-dibromo-4-methoxyphenyl)acetyl chloride (CID 18184515) is 2-(3,5-dibromo-4-methoxyphenyl)acetyl chloride.
What is the SMILES notation for 2-(3,5-dibromo-4-methoxyphenyl)acetyl chloride?
The canonical SMILES for 2-(3,5-dibromo-4-methoxyphenyl)acetyl chloride is COc1c(Br)cc(CC(=O)Cl)cc1Br.
What is the InChIKey of 2-(3,5-dibromo-4-methoxyphenyl)acetyl chloride?
The InChIKey is OMQKRDQLMZZTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Br2ClO2/c1-14-9-6(10)2-5(3-7(9)11)4-8(12)13/h2-3H,4H2,1H3.
What are the key properties of 2-(3,5-dibromo-4-methoxyphenyl)acetyl chloride?
2-(3,5-dibromo-4-methoxyphenyl)acetyl chloride has a molecular weight of 342.41 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dibromo-4-methoxyphenyl)acetyl chloride is sourced from PubChem (CID 18184515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).