4-bromo-2-chloro-1-iodobenzene

C6H3BrClI — CID 2735547

IUPAC4-bromo-2-chloro-1-iodobenzene
SMILESClc1cc(Br)ccc1I
InChIInChI=1S/C6H3BrClI/c7-4-1-2-6(9)5(8)3-4/h1-3H
InChIKeyOHHKQBZOURGNLR-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.71
Rot. Bonds

About 4-bromo-2-chloro-1-iodobenzene

4-bromo-2-chloro-1-iodobenzene (PubChem CID 2735547) has the molecular formula C6H3BrClI and a molecular weight of 317.35 g/mol. Its IUPAC name is 4-bromo-2-chloro-1-iodobenzene.

Molecular Properties

Compound Name4-bromo-2-chloro-1-iodobenzene
PubChem CID2735547
Molecular FormulaC6H3BrClI
Molecular Weight317.35 g/mol
Exact Mass315.82
IUPAC Name4-bromo-2-chloro-1-iodobenzene
SMILESClc1cc(Br)ccc1I
InChIInChI=1S/C6H3BrClI/c7-4-1-2-6(9)5(8)3-4/h1-3H
InChIKeyOHHKQBZOURGNLR-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-Bromo-2,6-dichlorobenzene
CID 29568
p-Bromochlorobenzene
CID 7806
1-Bromo-3-chlorobenzene
CID 7928
1-Bromo-2-chlorobenzene
CID 12754
Benzene, 1-bromo-3,5-dichloro-
CID 29766
4-Bromo-1,2-dichlorobenzene
CID 29013
1-Bromo-4-chloro-2-fluorobenzene
CID 137275
2-Bromo-1,4-dichlorobenzene
CID 15033
1-Bromo-2,3-dichlorobenzene
CID 42066
2-Bromo-4-chloro-1-fluorobenzene
CID 2773264
5-Bromo-1,3-dichloro-2-iodobenzene
CID 4574491
1,3-Dibromo-5-chlorobenzene
CID 84676

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-1-iodobenzene?
The IUPAC name of 4-bromo-2-chloro-1-iodobenzene (CID 2735547) is 4-bromo-2-chloro-1-iodobenzene.
What is the SMILES notation for 4-bromo-2-chloro-1-iodobenzene?
The canonical SMILES for 4-bromo-2-chloro-1-iodobenzene is Clc1cc(Br)ccc1I.
What is the InChIKey of 4-bromo-2-chloro-1-iodobenzene?
The InChIKey is OHHKQBZOURGNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrClI/c7-4-1-2-6(9)5(8)3-4/h1-3H.
What are the key properties of 4-bromo-2-chloro-1-iodobenzene?
4-bromo-2-chloro-1-iodobenzene has a molecular weight of 317.35 g/mol, XLogP of 3.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-1-iodobenzene is sourced from PubChem (CID 2735547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).