cesium;hydride;4-nitrobenzoic acid

C7H6CsNO4 — CID 174438488

IUPACcesium;hydride;4-nitrobenzoic acid
SMILESO=C(O)c1ccc([N+](=O)[O-])cc1.[Cs+].[H-]
InChIInChI=1S/C7H5NO4.Cs.H/c9-7(10)5-1-3-6(4-2-5)8(11)12;;/h1-4H,(H,9,10);;/q;+1;-1
InChIKeySDPCVFFLDMIDLZ-UHFFFAOYSA-N
MW301.03 g/mol
LogP-1.59
Rot. Bonds2

About cesium;hydride;4-nitrobenzoic acid

cesium;hydride;4-nitrobenzoic acid (PubChem CID 174438488) has the molecular formula C7H6CsNO4 and a molecular weight of 301.03 g/mol. Its IUPAC name is cesium;hydride;4-nitrobenzoic acid.

Molecular Properties

Compound Namecesium;hydride;4-nitrobenzoic acid
PubChem CID174438488
Molecular FormulaC7H6CsNO4
Molecular Weight301.03 g/mol
Exact Mass300.94
IUPAC Namecesium;hydride;4-nitrobenzoic acid
SMILESO=C(O)c1ccc([N+](=O)[O-])cc1.[Cs+].[H-]
InChIInChI=1S/C7H5NO4.Cs.H/c9-7(10)5-1-3-6(4-2-5)8(11)12;;/h1-4H,(H,9,10);;/q;+1;-1
InChIKeySDPCVFFLDMIDLZ-UHFFFAOYSA-N
XLogP-1.59
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.03
LogP ≤ 5-1.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of cesium;hydride;4-nitrobenzoic acid?
The IUPAC name of cesium;hydride;4-nitrobenzoic acid (CID 174438488) is cesium;hydride;4-nitrobenzoic acid.
What is the SMILES notation for cesium;hydride;4-nitrobenzoic acid?
The canonical SMILES for cesium;hydride;4-nitrobenzoic acid is O=C(O)c1ccc([N+](=O)[O-])cc1.[Cs+].[H-].
What is the InChIKey of cesium;hydride;4-nitrobenzoic acid?
The InChIKey is SDPCVFFLDMIDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO4.Cs.H/c9-7(10)5-1-3-6(4-2-5)8(11)12;;/h1-4H,(H,9,10);;/q;+1;-1.
What are the key properties of cesium;hydride;4-nitrobenzoic acid?
cesium;hydride;4-nitrobenzoic acid has a molecular weight of 301.03 g/mol, XLogP of -1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cesium;hydride;4-nitrobenzoic acid is sourced from PubChem (CID 174438488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).