6-chloro-2,3-dimethylbenzoyl chloride

C9H8Cl2O — CID 88504184

IUPAC6-chloro-2,3-dimethylbenzoyl chloride
SMILESCc1ccc(Cl)c(C(=O)Cl)c1C
InChIInChI=1S/C9H8Cl2O/c1-5-3-4-7(10)8(6(5)2)9(11)12/h3-4H,1-2H3
InChIKeyXUTARJQPIMEHGD-UHFFFAOYSA-N
MW203.07 g/mol
LogP3.34
Rot. Bonds1

About 6-chloro-2,3-dimethylbenzoyl chloride

6-chloro-2,3-dimethylbenzoyl chloride (PubChem CID 88504184) has the molecular formula C9H8Cl2O and a molecular weight of 203.07 g/mol. Its IUPAC name is 6-chloro-2,3-dimethylbenzoyl chloride.

Molecular Properties

Compound Name6-chloro-2,3-dimethylbenzoyl chloride
PubChem CID88504184
Molecular FormulaC9H8Cl2O
Molecular Weight203.07 g/mol
Exact Mass202.00
IUPAC Name6-chloro-2,3-dimethylbenzoyl chloride
SMILESCc1ccc(Cl)c(C(=O)Cl)c1C
InChIInChI=1S/C9H8Cl2O/c1-5-3-4-7(10)8(6(5)2)9(11)12/h3-4H,1-2H3
InChIKeyXUTARJQPIMEHGD-UHFFFAOYSA-N
XLogP3.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.07
LogP ≤ 53.34
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 6-chloro-2,3-dimethylbenzoyl chloride?
The IUPAC name of 6-chloro-2,3-dimethylbenzoyl chloride (CID 88504184) is 6-chloro-2,3-dimethylbenzoyl chloride.
What is the SMILES notation for 6-chloro-2,3-dimethylbenzoyl chloride?
The canonical SMILES for 6-chloro-2,3-dimethylbenzoyl chloride is Cc1ccc(Cl)c(C(=O)Cl)c1C.
What is the InChIKey of 6-chloro-2,3-dimethylbenzoyl chloride?
The InChIKey is XUTARJQPIMEHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O/c1-5-3-4-7(10)8(6(5)2)9(11)12/h3-4H,1-2H3.
What are the key properties of 6-chloro-2,3-dimethylbenzoyl chloride?
6-chloro-2,3-dimethylbenzoyl chloride has a molecular weight of 203.07 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,3-dimethylbenzoyl chloride is sourced from PubChem (CID 88504184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).