1,2-dichloro-3-(iodomethyl)benzene

C7H5Cl2I — CID 107310418

IUPAC1,2-dichloro-3-(iodomethyl)benzene
SMILESClc1cccc(CI)c1Cl
InChIInChI=1S/C7H5Cl2I/c8-6-3-1-2-5(4-10)7(6)9/h1-3H,4H2
InChIKeyFLIBUMVNNAGSRR-UHFFFAOYSA-N
MW286.93 g/mol
LogP3.93
Rot. Bonds1

About 1,2-dichloro-3-(iodomethyl)benzene

1,2-dichloro-3-(iodomethyl)benzene (PubChem CID 107310418) has the molecular formula C7H5Cl2I and a molecular weight of 286.93 g/mol. Its IUPAC name is 1,2-dichloro-3-(iodomethyl)benzene.

Molecular Properties

Compound Name1,2-dichloro-3-(iodomethyl)benzene
PubChem CID107310418
Molecular FormulaC7H5Cl2I
Molecular Weight286.93 g/mol
Exact Mass285.88
IUPAC Name1,2-dichloro-3-(iodomethyl)benzene
SMILESClc1cccc(CI)c1Cl
InChIInChI=1S/C7H5Cl2I/c8-6-3-1-2-5(4-10)7(6)9/h1-3H,4H2
InChIKeyFLIBUMVNNAGSRR-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.93
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2,3-dichlorophenyl)methylazanium
CID 6951258
1-(2-chlorophenyl)-2-(2,3-dichlorophenyl)ethanone
CID 107307846
2-(2,3-dichlorophenyl)-1-(4-iodophenyl)ethanone
CID 107311673
2-[(2,3-dichlorophenyl)methyl]-1,3-dioxole
CID 71772683
(2,3-dichlorophenyl)methyl-methylazanium
CID 2060843
1-[2-chloro-6-(iodomethyl)phenyl]ethanone
CID 89224717
1,2-dichloro-3-(2-phenylethyl)benzene
CID 139886984
1-(2,3-dichlorophenyl)propane-2-thiol
CID 169111936
1-(4-aminophenyl)-2-(2,3-dichlorophenyl)ethanone
CID 107308085
1-(2,3-dichlorophenyl)propan-2-ol;methanol
CID 144705964
2,3-dichloro-1-[(2,3-dichlorophenyl)methyl]-4-methylbenzene
CID 14252253
1-(azidomethyl)-2,3-dichlorobenzene
CID 21282659

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3-(iodomethyl)benzene?
The IUPAC name of 1,2-dichloro-3-(iodomethyl)benzene (CID 107310418) is 1,2-dichloro-3-(iodomethyl)benzene.
What is the SMILES notation for 1,2-dichloro-3-(iodomethyl)benzene?
The canonical SMILES for 1,2-dichloro-3-(iodomethyl)benzene is Clc1cccc(CI)c1Cl.
What is the InChIKey of 1,2-dichloro-3-(iodomethyl)benzene?
The InChIKey is FLIBUMVNNAGSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2I/c8-6-3-1-2-5(4-10)7(6)9/h1-3H,4H2.
What are the key properties of 1,2-dichloro-3-(iodomethyl)benzene?
1,2-dichloro-3-(iodomethyl)benzene has a molecular weight of 286.93 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-3-(iodomethyl)benzene is sourced from PubChem (CID 107310418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).