3,5-dichloro-4-methylbenzoyl chloride

C8H5Cl3O — CID 11127919

IUPAC3,5-dichloro-4-methylbenzoyl chloride
SMILESCc1c(Cl)cc(C(=O)Cl)cc1Cl
InChIInChI=1S/C8H5Cl3O/c1-4-6(9)2-5(8(11)12)3-7(4)10/h2-3H,1H3
InChIKeyUNONPWRUIRVAIG-UHFFFAOYSA-N
MW223.49 g/mol
LogP3.68
Rot. Bonds1

About 3,5-dichloro-4-methylbenzoyl chloride

3,5-dichloro-4-methylbenzoyl chloride (PubChem CID 11127919) has the molecular formula C8H5Cl3O and a molecular weight of 223.49 g/mol. Its IUPAC name is 3,5-dichloro-4-methylbenzoyl chloride.

Molecular Properties

Compound Name3,5-dichloro-4-methylbenzoyl chloride
PubChem CID11127919
Molecular FormulaC8H5Cl3O
Molecular Weight223.49 g/mol
Exact Mass221.94
IUPAC Name3,5-dichloro-4-methylbenzoyl chloride
SMILESCc1c(Cl)cc(C(=O)Cl)cc1Cl
InChIInChI=1S/C8H5Cl3O/c1-4-6(9)2-5(8(11)12)3-7(4)10/h2-3H,1H3
InChIKeyUNONPWRUIRVAIG-UHFFFAOYSA-N
XLogP3.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.49
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3,5-dichloro-4-methylbenzoyl chloride?
The IUPAC name of 3,5-dichloro-4-methylbenzoyl chloride (CID 11127919) is 3,5-dichloro-4-methylbenzoyl chloride.
What is the SMILES notation for 3,5-dichloro-4-methylbenzoyl chloride?
The canonical SMILES for 3,5-dichloro-4-methylbenzoyl chloride is Cc1c(Cl)cc(C(=O)Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-methylbenzoyl chloride?
The InChIKey is UNONPWRUIRVAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl3O/c1-4-6(9)2-5(8(11)12)3-7(4)10/h2-3H,1H3.
What are the key properties of 3,5-dichloro-4-methylbenzoyl chloride?
3,5-dichloro-4-methylbenzoyl chloride has a molecular weight of 223.49 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-methylbenzoyl chloride is sourced from PubChem (CID 11127919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).