1-chloro-2-iodobenzene

C6H4ClI — CID 11993

IUPAC1-chloro-2-iodobenzene
SMILESClc1ccccc1I
InChIInChI=1S/C6H4ClI/c7-5-3-1-2-4-6(5)8/h1-4H
InChIKeyMPEOPBCQHNWNFB-UHFFFAOYSA-N
MW238.46 g/mol
LogP2.94
Rot. Bonds

About 1-chloro-2-iodobenzene

1-chloro-2-iodobenzene (PubChem CID 11993) has the molecular formula C6H4ClI and a molecular weight of 238.46 g/mol. Its IUPAC name is 1-chloro-2-iodobenzene.

Molecular Properties

Compound Name1-chloro-2-iodobenzene
PubChem CID11993
Molecular FormulaC6H4ClI
Molecular Weight238.46 g/mol
Exact Mass237.90
IUPAC Name1-chloro-2-iodobenzene
SMILESClc1ccccc1I
InChIInChI=1S/C6H4ClI/c7-5-3-1-2-4-6(5)8/h1-4H
InChIKeyMPEOPBCQHNWNFB-UHFFFAOYSA-N
XLogP2.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.46
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,4-Dichlorobenzene
CID 4685
1,2-Dichlorobenzene
CID 7239
Chlorobenzene
CID 7964
1,3,5-Trichlorobenzene
CID 7950
1,3-Dichlorobenzene
CID 10943
4-Chlorophenylboronic acid
CID 74299
1-Chloro-2-fluorobenzene
CID 9583
1,2-Dichlorobenzene-D4
CID 519913
1,4-Dichlorobenzene-d4
CID 123202
(3-Chlorophenyl)boronic acid
CID 2734323
1-Chloro-3-iodobenzene
CID 12269
1-Chloro-4-iodobenzene
CID 12510

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-iodobenzene?
The IUPAC name of 1-chloro-2-iodobenzene (CID 11993) is 1-chloro-2-iodobenzene.
What is the SMILES notation for 1-chloro-2-iodobenzene?
The canonical SMILES for 1-chloro-2-iodobenzene is Clc1ccccc1I.
What is the InChIKey of 1-chloro-2-iodobenzene?
The InChIKey is MPEOPBCQHNWNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClI/c7-5-3-1-2-4-6(5)8/h1-4H.
What are the key properties of 1-chloro-2-iodobenzene?
1-chloro-2-iodobenzene has a molecular weight of 238.46 g/mol, XLogP of 2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-iodobenzene is sourced from PubChem (CID 11993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).