5-bromo-2,3-dimethoxybenzoyl chloride

C9H8BrClO3 — CID 15691860

IUPAC5-bromo-2,3-dimethoxybenzoyl chloride
SMILESCOc1cc(Br)cc(C(=O)Cl)c1OC
InChIInChI=1S/C9H8BrClO3/c1-13-7-4-5(10)3-6(9(11)12)8(7)14-2/h3-4H,1-2H3
InChIKeyAOLAYIKZZRFLAN-UHFFFAOYSA-N
MW279.52 g/mol
LogP2.85
Rot. Bonds3

About 5-bromo-2,3-dimethoxybenzoyl chloride

5-bromo-2,3-dimethoxybenzoyl chloride (PubChem CID 15691860) has the molecular formula C9H8BrClO3 and a molecular weight of 279.52 g/mol. Its IUPAC name is 5-bromo-2,3-dimethoxybenzoyl chloride.

Molecular Properties

Compound Name5-bromo-2,3-dimethoxybenzoyl chloride
PubChem CID15691860
Molecular FormulaC9H8BrClO3
Molecular Weight279.52 g/mol
Exact Mass277.93
IUPAC Name5-bromo-2,3-dimethoxybenzoyl chloride
SMILESCOc1cc(Br)cc(C(=O)Cl)c1OC
InChIInChI=1S/C9H8BrClO3/c1-13-7-4-5(10)3-6(9(11)12)8(7)14-2/h3-4H,1-2H3
InChIKeyAOLAYIKZZRFLAN-UHFFFAOYSA-N
XLogP2.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.52
LogP ≤ 52.85
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 5-bromo-2,3-dimethoxybenzoyl chloride?
The IUPAC name of 5-bromo-2,3-dimethoxybenzoyl chloride (CID 15691860) is 5-bromo-2,3-dimethoxybenzoyl chloride.
What is the SMILES notation for 5-bromo-2,3-dimethoxybenzoyl chloride?
The canonical SMILES for 5-bromo-2,3-dimethoxybenzoyl chloride is COc1cc(Br)cc(C(=O)Cl)c1OC.
What is the InChIKey of 5-bromo-2,3-dimethoxybenzoyl chloride?
The InChIKey is AOLAYIKZZRFLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClO3/c1-13-7-4-5(10)3-6(9(11)12)8(7)14-2/h3-4H,1-2H3.
What are the key properties of 5-bromo-2,3-dimethoxybenzoyl chloride?
5-bromo-2,3-dimethoxybenzoyl chloride has a molecular weight of 279.52 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,3-dimethoxybenzoyl chloride is sourced from PubChem (CID 15691860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).