(4-chlorophenyl) [(bromo-λ3-iodanylidene)-λ3-iodanyl]formate

C7H4BrClI2O2 — CID 88730372

IUPAC(4-chlorophenyl) [(bromo-λ3-iodanylidene)-λ3-iodanyl]formate
SMILESO=C(Oc1ccc(Cl)cc1)/I=I/Br
InChIInChI=1S/C7H4BrClI2O2/c8-11-10-7(12)13-6-3-1-5(9)2-4-6/h1-4H
InChIKeyDURWHAVWOUFMHP-UHFFFAOYSA-N
MW489.27 g/mol
LogP5.01
Rot. Bonds2

About (4-chlorophenyl) [(bromo-λ3-iodanylidene)-λ3-iodanyl]formate

(4-chlorophenyl) [(bromo-λ3-iodanylidene)-λ3-iodanyl]formate (PubChem CID 88730372) has the molecular formula C7H4BrClI2O2 and a molecular weight of 489.27 g/mol. Its IUPAC name is (4-chlorophenyl) [(bromo-λ3-iodanylidene)-λ3-iodanyl]formate.

Molecular Properties

Compound Name(4-chlorophenyl) [(bromo-λ3-iodanylidene)-λ3-iodanyl]formate
PubChem CID88730372
Molecular FormulaC7H4BrClI2O2
Molecular Weight489.27 g/mol
Exact Mass487.72
IUPAC Name(4-chlorophenyl) [(bromo-λ3-iodanylidene)-λ3-iodanyl]formate
SMILESO=C(Oc1ccc(Cl)cc1)/I=I/Br
InChIInChI=1S/C7H4BrClI2O2/c8-11-10-7(12)13-6-3-1-5(9)2-4-6/h1-4H
InChIKeyDURWHAVWOUFMHP-UHFFFAOYSA-N
XLogP5.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.27
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4-chlorophenyl) [(bromo-λ3-iodanylidene)-λ3-iodanyl]formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-chlorophenyl) acetate
CID 13410
(4-chlorophenyl) (E)-3-bromo-2,3-diiodoprop-2-enoate
CID 88728007
(4-chlorophenyl) 2-oxopropanoate
CID 22420053
O-(4-chlorophenyl) 2-chloro-2-oxoethanethioate
CID 168864372
(4-chlorophenyl) cycloprop-2-ene-1-carboxylate
CID 175603211
(4-chlorophenyl) 3,4-dimethylpentanoate
CID 123230696
bis(4-chlorophenoxy)methanimine
CID 15716338
(E)-4-(4-chlorophenoxy)-4-oxobut-2-enoic acid
CID 6439541
(4-chlorophenyl) 2-[4-[2-(4-chlorophenoxy)-2-oxoethoxy]phenoxy]acetate
CID 10503577
[4-[1,2-dibromo-2-(4-chlorophenyl)ethyl]phenyl] acetate
CID 10622623
(4-chlorophenyl) 2-bromobutanoate
CID 54235424
(4-chlorophenyl) 3-(4-chlorophenyl)prop-2-ynoate
CID 162411096

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl) [(bromo-λ3-iodanylidene)-λ3-iodanyl]formate?
The IUPAC name of (4-chlorophenyl) [(bromo-λ3-iodanylidene)-λ3-iodanyl]formate (CID 88730372) is (4-chlorophenyl) [(bromo-λ3-iodanylidene)-λ3-iodanyl]formate.
What is the SMILES notation for (4-chlorophenyl) [(bromo-λ3-iodanylidene)-λ3-iodanyl]formate?
The canonical SMILES for (4-chlorophenyl) [(bromo-λ3-iodanylidene)-λ3-iodanyl]formate is O=C(Oc1ccc(Cl)cc1)/I=I/Br.
What is the InChIKey of (4-chlorophenyl) [(bromo-λ3-iodanylidene)-λ3-iodanyl]formate?
The InChIKey is DURWHAVWOUFMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClI2O2/c8-11-10-7(12)13-6-3-1-5(9)2-4-6/h1-4H.
What are the key properties of (4-chlorophenyl) [(bromo-λ3-iodanylidene)-λ3-iodanyl]formate?
(4-chlorophenyl) [(bromo-λ3-iodanylidene)-λ3-iodanyl]formate has a molecular weight of 489.27 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl) [(bromo-λ3-iodanylidene)-λ3-iodanyl]formate is sourced from PubChem (CID 88730372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).