4-chloro-3-iodobenzoyl chloride

C7H3Cl2IO — CID 57349940

IUPAC4-chloro-3-iodobenzoyl chloride
SMILESO=C(Cl)c1ccc(Cl)c(I)c1
InChIInChI=1S/C7H3Cl2IO/c8-5-2-1-4(7(9)11)3-6(5)10/h1-3H
InChIKeyUHANTBMVFVOTLR-UHFFFAOYSA-N
MW300.91 g/mol
LogP3.32
Rot. Bonds1

About 4-chloro-3-iodobenzoyl chloride

4-chloro-3-iodobenzoyl chloride (PubChem CID 57349940) has the molecular formula C7H3Cl2IO and a molecular weight of 300.91 g/mol. Its IUPAC name is 4-chloro-3-iodobenzoyl chloride.

Molecular Properties

Compound Name4-chloro-3-iodobenzoyl chloride
PubChem CID57349940
Molecular FormulaC7H3Cl2IO
Molecular Weight300.91 g/mol
Exact Mass299.86
IUPAC Name4-chloro-3-iodobenzoyl chloride
SMILESO=C(Cl)c1ccc(Cl)c(I)c1
InChIInChI=1S/C7H3Cl2IO/c8-5-2-1-4(7(9)11)3-6(5)10/h1-3H
InChIKeyUHANTBMVFVOTLR-UHFFFAOYSA-N
XLogP3.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.91
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-iodobenzoic acid;methyl 4-chloro-3-iodobenzoate;sulfuric acid
CID 158054837
(4-chloro-3-iodophenyl)-piperazin-1-ylmethanone
CID 119403690
(4-chloro-3-iodophenyl)-pyridin-3-ylmethanone
CID 134638287
1-(4-chloro-3-iodobenzoyl)piperidin-4-one
CID 67568903
3-chloro-4-(2,3,4-trichlorophenyl)benzoyl chloride
CID 134617312
4-chloro-3-iodo-N-(oxetan-3-yl)benzamide
CID 172647510
biphenylene-2,7-dicarbonyl chloride
CID 59041868
3-(4-chloro-3-iodobenzoyl)oxy-2,2-difluoropropanoic acid
CID 156523074
(4-chloro-3-iodophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 47039261
(4-aminopiperidin-1-yl)-(4-chloro-3-iodophenyl)methanone;hydrochloride
CID 119376696
3-(2,5-dichlorophenyl)-4-fluorobenzoyl chloride
CID 134618190
4-tert-butyl-3-chlorobenzoyl chloride
CID 71365749

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-iodobenzoyl chloride?
The IUPAC name of 4-chloro-3-iodobenzoyl chloride (CID 57349940) is 4-chloro-3-iodobenzoyl chloride.
What is the SMILES notation for 4-chloro-3-iodobenzoyl chloride?
The canonical SMILES for 4-chloro-3-iodobenzoyl chloride is O=C(Cl)c1ccc(Cl)c(I)c1.
What is the InChIKey of 4-chloro-3-iodobenzoyl chloride?
The InChIKey is UHANTBMVFVOTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2IO/c8-5-2-1-4(7(9)11)3-6(5)10/h1-3H.
What are the key properties of 4-chloro-3-iodobenzoyl chloride?
4-chloro-3-iodobenzoyl chloride has a molecular weight of 300.91 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-iodobenzoyl chloride is sourced from PubChem (CID 57349940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).