potassium 4-nitrobenzoate

C7H4KNO4 — CID 10125148

IUPACpotassium 4-nitrobenzoate
SMILESO=C([O-])c1ccc([N+](=O)[O-])cc1.[K+]
InChIInChI=1S/C7H5NO4.K/c9-7(10)5-1-3-6(4-2-5)8(11)12;/h1-4H,(H,9,10);/q;+1/p-1
InChIKeyMKBKSBKMELRIKB-UHFFFAOYSA-M
MW205.21 g/mol
LogP-3.04
Rot. Bonds2

About potassium 4-nitrobenzoate

potassium 4-nitrobenzoate (PubChem CID 10125148) has the molecular formula C7H4KNO4 and a molecular weight of 205.21 g/mol. Its IUPAC name is potassium 4-nitrobenzoate.

Molecular Properties

Compound Namepotassium 4-nitrobenzoate
PubChem CID10125148
Molecular FormulaC7H4KNO4
Molecular Weight205.21 g/mol
Exact Mass204.98
IUPAC Namepotassium 4-nitrobenzoate
SMILESO=C([O-])c1ccc([N+](=O)[O-])cc1.[K+]
InChIInChI=1S/C7H5NO4.K/c9-7(10)5-1-3-6(4-2-5)8(11)12;/h1-4H,(H,9,10);/q;+1/p-1
InChIKeyMKBKSBKMELRIKB-UHFFFAOYSA-M
XLogP-3.04
TPSA83.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 5-3.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

4-Aminobenzoic Acid
CID 978
4-Nitrobenzoic Acid
CID 6108
3-Nitrobenzoic acid
CID 8497
Aminobenzoate Potassium
CID 23663628
Sodium 4-aminobenzoate
CID 517441
4-Nitroanthranilic acid
CID 12076
2-Nitrobenzoic acid
CID 11087
4-Aminobenzoate
CID 4876
Methyl 4-nitrobenzoate
CID 12083
3,4-Dinitrobenzoic acid
CID 10709
3-Methyl-4-nitrobenzoic acid
CID 18370
Ethyl 4-nitrobenzoate
CID 7457

Frequently Asked Questions

What is the IUPAC name of potassium 4-nitrobenzoate?
The IUPAC name of potassium 4-nitrobenzoate (CID 10125148) is potassium 4-nitrobenzoate.
What is the SMILES notation for potassium 4-nitrobenzoate?
The canonical SMILES for potassium 4-nitrobenzoate is O=C([O-])c1ccc([N+](=O)[O-])cc1.[K+].
What is the InChIKey of potassium 4-nitrobenzoate?
The InChIKey is MKBKSBKMELRIKB-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H5NO4.K/c9-7(10)5-1-3-6(4-2-5)8(11)12;/h1-4H,(H,9,10);/q;+1/p-1.
What are the key properties of potassium 4-nitrobenzoate?
potassium 4-nitrobenzoate has a molecular weight of 205.21 g/mol, XLogP of -3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4-nitrobenzoate is sourced from PubChem (CID 10125148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).