cesium;4-chlorobenzoic acid;fluoride

C7H5ClCsFO2 — CID 175696882

IUPACcesium;4-chlorobenzoic acid;fluoride
SMILESO=C(O)c1ccc(Cl)cc1.[Cs+].[F-]
InChIInChI=1S/C7H5ClO2.Cs.FH/c8-6-3-1-5(2-4-6)7(9)10;;/h1-4H,(H,9,10);;1H/q;+1;/p-1
InChIKeyYHKJYDKFLVTJJI-UHFFFAOYSA-M
MW308.47 g/mol
LogP-3.95
Rot. Bonds1

About cesium;4-chlorobenzoic acid;fluoride

cesium;4-chlorobenzoic acid;fluoride (PubChem CID 175696882) has the molecular formula C7H5ClCsFO2 and a molecular weight of 308.47 g/mol. Its IUPAC name is cesium;4-chlorobenzoic acid;fluoride.

Molecular Properties

Compound Namecesium;4-chlorobenzoic acid;fluoride
PubChem CID175696882
Molecular FormulaC7H5ClCsFO2
Molecular Weight308.47 g/mol
Exact Mass307.90
IUPAC Namecesium;4-chlorobenzoic acid;fluoride
SMILESO=C(O)c1ccc(Cl)cc1.[Cs+].[F-]
InChIInChI=1S/C7H5ClO2.Cs.FH/c8-6-3-1-5(2-4-6)7(9)10;;/h1-4H,(H,9,10);;1H/q;+1;/p-1
InChIKeyYHKJYDKFLVTJJI-UHFFFAOYSA-M
XLogP-3.95
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 5-3.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 66995527
4-chlorobenzoic acid;molecular hydrogen
CID 175545154
4-chlorobenzoic acid;fluoromethane
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terephthalic acid
CID 160582437
chromium;terephthalic acid
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bismuthane;terephthalic acid
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terephthalic acid;dihydrofluoride
CID 70485309
4-[(4-chlorophenyl)methylsulfinylmethyl]benzoic acid
CID 114790855
4-[[(4-chlorophenyl)methylamino]methyl]benzoic acid;hydrochloride
CID 6458865
terephthalic acid;trichlorobismuthane
CID 175456878
4-[(Z)-2-carboxy-2-(4-chlorophenyl)ethenyl]benzoic acid
CID 83955767
silver;terephthalic acid;zinc
CID 88512761

Frequently Asked Questions

What is the IUPAC name of cesium;4-chlorobenzoic acid;fluoride?
The IUPAC name of cesium;4-chlorobenzoic acid;fluoride (CID 175696882) is cesium;4-chlorobenzoic acid;fluoride.
What is the SMILES notation for cesium;4-chlorobenzoic acid;fluoride?
The canonical SMILES for cesium;4-chlorobenzoic acid;fluoride is O=C(O)c1ccc(Cl)cc1.[Cs+].[F-].
What is the InChIKey of cesium;4-chlorobenzoic acid;fluoride?
The InChIKey is YHKJYDKFLVTJJI-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H5ClO2.Cs.FH/c8-6-3-1-5(2-4-6)7(9)10;;/h1-4H,(H,9,10);;1H/q;+1;/p-1.
What are the key properties of cesium;4-chlorobenzoic acid;fluoride?
cesium;4-chlorobenzoic acid;fluoride has a molecular weight of 308.47 g/mol, XLogP of -3.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cesium;4-chlorobenzoic acid;fluoride is sourced from PubChem (CID 175696882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).