4-(2-chloro-2-oxoethyl)benzoyl chloride

C9H6Cl2O2 — CID 101055805

IUPAC4-(2-chloro-2-oxoethyl)benzoyl chloride
SMILESO=C(Cl)Cc1ccc(C(=O)Cl)cc1
InChIInChI=1S/C9H6Cl2O2/c10-8(12)5-6-1-3-7(4-2-6)9(11)13/h1-4H,5H2
InChIKeyXJFDNWXQGWLYHL-UHFFFAOYSA-N
MW217.05 g/mol
LogP2.37
Rot. Bonds3

About 4-(2-chloro-2-oxoethyl)benzoyl chloride

4-(2-chloro-2-oxoethyl)benzoyl chloride (PubChem CID 101055805) has the molecular formula C9H6Cl2O2 and a molecular weight of 217.05 g/mol. Its IUPAC name is 4-(2-chloro-2-oxoethyl)benzoyl chloride.

Molecular Properties

Compound Name4-(2-chloro-2-oxoethyl)benzoyl chloride
PubChem CID101055805
Molecular FormulaC9H6Cl2O2
Molecular Weight217.05 g/mol
Exact Mass215.97
IUPAC Name4-(2-chloro-2-oxoethyl)benzoyl chloride
SMILESO=C(Cl)Cc1ccc(C(=O)Cl)cc1
InChIInChI=1S/C9H6Cl2O2/c10-8(12)5-6-1-3-7(4-2-6)9(11)13/h1-4H,5H2
InChIKeyXJFDNWXQGWLYHL-UHFFFAOYSA-N
XLogP2.37
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.05
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

4-(2,3,3-trichloroprop-2-enyl)benzoyl chloride
CID 71409950
2-(4-acetylphenyl)acetyl chloride
CID 19746515
2-[4-(2-oxopropyl)phenyl]acetyl chloride
CID 145140807
2-(4-iodophenyl)acetyl chloride
CID 13340573
2-(4-benzylphenyl)acetyl chloride
CID 18187385
2-(4-aminophenyl)acetyl chloride;ethane
CID 143474750
2-(4-phenylphenyl)acetyl chloride
CID 11264727
zinc;2-phenylacetyl chloride;dichloride
CID 175497500
[4-(2-chloro-2-oxoethyl)phenyl]methanesulfinate
CID 155023750
(4-carbonochloridoylphenyl)methyl-trimethylazanium
CID 59290041
4-(3-chloropropyl)benzoyl chloride
CID 86624859
2-(4-methylphenyl)acetic acid;2-(4-methylphenyl)acetyl chloride
CID 88841488

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-2-oxoethyl)benzoyl chloride?
The IUPAC name of 4-(2-chloro-2-oxoethyl)benzoyl chloride (CID 101055805) is 4-(2-chloro-2-oxoethyl)benzoyl chloride.
What is the SMILES notation for 4-(2-chloro-2-oxoethyl)benzoyl chloride?
The canonical SMILES for 4-(2-chloro-2-oxoethyl)benzoyl chloride is O=C(Cl)Cc1ccc(C(=O)Cl)cc1.
What is the InChIKey of 4-(2-chloro-2-oxoethyl)benzoyl chloride?
The InChIKey is XJFDNWXQGWLYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2O2/c10-8(12)5-6-1-3-7(4-2-6)9(11)13/h1-4H,5H2.
What are the key properties of 4-(2-chloro-2-oxoethyl)benzoyl chloride?
4-(2-chloro-2-oxoethyl)benzoyl chloride has a molecular weight of 217.05 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-2-oxoethyl)benzoyl chloride is sourced from PubChem (CID 101055805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).