iodo 3-chlorobenzoate

C7H4ClIO2 — CID 148549555

IUPACiodo 3-chlorobenzoate
SMILESO=C(OI)c1cccc(Cl)c1
InChIInChI=1S/C7H4ClIO2/c8-6-3-1-2-5(4-6)7(10)11-9/h1-4H
InChIKeyHZDFULMJVULLQA-UHFFFAOYSA-N
MW282.46 g/mol
LogP2.85
Rot. Bonds1

About iodo 3-chlorobenzoate

iodo 3-chlorobenzoate (PubChem CID 148549555) has the molecular formula C7H4ClIO2 and a molecular weight of 282.46 g/mol. Its IUPAC name is iodo 3-chlorobenzoate.

Molecular Properties

Compound Nameiodo 3-chlorobenzoate
PubChem CID148549555
Molecular FormulaC7H4ClIO2
Molecular Weight282.46 g/mol
Exact Mass281.89
IUPAC Nameiodo 3-chlorobenzoate
SMILESO=C(OI)c1cccc(Cl)c1
InChIInChI=1S/C7H4ClIO2/c8-6-3-1-2-5(4-6)7(10)11-9/h1-4H
InChIKeyHZDFULMJVULLQA-UHFFFAOYSA-N
XLogP2.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

azane;3-chlorobenzenecarboperoxoic acid
CID 86637115
benzoyl 3-chlorobenzenecarboperoxoate
CID 174735202
chloro 3-chlorobenzenecarboperoxoate
CID 87849518
methyl 3-chlorobenzenecarboperoxoate
CID 118256511
3-chlorobenzenecarboperoxoic acid;methanamine
CID 172721776
(3-chlorophenyl) 3-chlorobenzoate
CID 15128068
[[4-(3-chlorobenzoyl)oxyiminocyclohexa-2,5-dien-1-ylidene]amino] 3-chlorobenzoate
CID 5228997
(4-chlorophenyl) 3-chlorobenzoate
CID 23011218
(2,4-dichlorophenyl) 3-chlorobenzoate
CID 23011226
(2-hydroxyphenyl) 3-chlorobenzoate
CID 4525221
2-bromoethyl 3-chlorobenzoate
CID 21411127
tetrakis(3-chlorobenzoic acid);bis(rhodium)
CID 11967271

Frequently Asked Questions

What is the IUPAC name of iodo 3-chlorobenzoate?
The IUPAC name of iodo 3-chlorobenzoate (CID 148549555) is iodo 3-chlorobenzoate.
What is the SMILES notation for iodo 3-chlorobenzoate?
The canonical SMILES for iodo 3-chlorobenzoate is O=C(OI)c1cccc(Cl)c1.
What is the InChIKey of iodo 3-chlorobenzoate?
The InChIKey is HZDFULMJVULLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClIO2/c8-6-3-1-2-5(4-6)7(10)11-9/h1-4H.
What are the key properties of iodo 3-chlorobenzoate?
iodo 3-chlorobenzoate has a molecular weight of 282.46 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iodo 3-chlorobenzoate is sourced from PubChem (CID 148549555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).