dichloromethane;2-iodobenzoyl chloride

C8H6Cl3IO — CID 174929981

IUPACdichloromethane;2-iodobenzoyl chloride
SMILESClCCl.O=C(Cl)c1ccccc1I
InChIInChI=1S/C7H4ClIO.CH2Cl2/c8-7(10)5-3-1-2-4-6(5)9;2-1-3/h1-4H;1H2
InChIKeyCRPFKGUCYDVGRE-UHFFFAOYSA-N
MW351.40 g/mol
LogP4.09
Rot. Bonds1

About dichloromethane;2-iodobenzoyl chloride

dichloromethane;2-iodobenzoyl chloride (PubChem CID 174929981) has the molecular formula C8H6Cl3IO and a molecular weight of 351.40 g/mol. Its IUPAC name is dichloromethane;2-iodobenzoyl chloride.

Molecular Properties

Compound Namedichloromethane;2-iodobenzoyl chloride
PubChem CID174929981
Molecular FormulaC8H6Cl3IO
Molecular Weight351.40 g/mol
Exact Mass349.85
IUPAC Namedichloromethane;2-iodobenzoyl chloride
SMILESClCCl.O=C(Cl)c1ccccc1I
InChIInChI=1S/C7H4ClIO.CH2Cl2/c8-7(10)5-3-1-2-4-6(5)9;2-1-3/h1-4H;1H2
InChIKeyCRPFKGUCYDVGRE-UHFFFAOYSA-N
XLogP4.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

benzene-1,2-dicarbonyl chloride;thiohypochlorous acid
CID 172771249
(2-iodophenyl)-phosphanylmethanone
CID 71171562
2-iodobenzamide
CID 160670857
2-(iodomethyl)benzoyl chloride
CID 89345303
2-cyclopropyl-1-(2-iodophenyl)ethanone
CID 114974685
1-iodo-2-(1,2,2-triiodoethenyl)benzene
CID 139766406
4-(2-iodophenyl)-4-oxobutanoic acid
CID 24727008
1-(2-iodophenyl)-2-nitroethanone
CID 130707599
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-iodobenzamide
CID 115455970
CID 88581432
CID 88581432
2-fluorobenzoyl chloride
CID 9808
2-(aminomethyl)benzoyl chloride
CID 82503183

Frequently Asked Questions

What is the IUPAC name of dichloromethane;2-iodobenzoyl chloride?
The IUPAC name of dichloromethane;2-iodobenzoyl chloride (CID 174929981) is dichloromethane;2-iodobenzoyl chloride.
What is the SMILES notation for dichloromethane;2-iodobenzoyl chloride?
The canonical SMILES for dichloromethane;2-iodobenzoyl chloride is ClCCl.O=C(Cl)c1ccccc1I.
What is the InChIKey of dichloromethane;2-iodobenzoyl chloride?
The InChIKey is CRPFKGUCYDVGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClIO.CH2Cl2/c8-7(10)5-3-1-2-4-6(5)9;2-1-3/h1-4H;1H2.
What are the key properties of dichloromethane;2-iodobenzoyl chloride?
dichloromethane;2-iodobenzoyl chloride has a molecular weight of 351.40 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;2-iodobenzoyl chloride is sourced from PubChem (CID 174929981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).