sodium;hydride;nitro benzoate

C7H6NNaO4 — CID 174940783

IUPACsodium;hydride;nitro benzoate
SMILESO=C(O[N+](=O)[O-])c1ccccc1.[H-].[Na+]
InChIInChI=1S/C7H5NO4.Na.H/c9-7(12-8(10)11)6-4-2-1-3-5-6;;/h1-5H;;/q;+1;-1
InChIKeyLAWXEVPFBMFTPB-UHFFFAOYSA-N
MW191.12 g/mol
LogP-1.85
Rot. Bonds2

About sodium;hydride;nitro benzoate

sodium;hydride;nitro benzoate (PubChem CID 174940783) has the molecular formula C7H6NNaO4 and a molecular weight of 191.12 g/mol. Its IUPAC name is sodium;hydride;nitro benzoate.

Molecular Properties

Compound Namesodium;hydride;nitro benzoate
PubChem CID174940783
Molecular FormulaC7H6NNaO4
Molecular Weight191.12 g/mol
Exact Mass191.02
IUPAC Namesodium;hydride;nitro benzoate
SMILESO=C(O[N+](=O)[O-])c1ccccc1.[H-].[Na+]
InChIInChI=1S/C7H5NO4.Na.H/c9-7(12-8(10)11)6-4-2-1-3-5-6;;/h1-5H;;/q;+1;-1
InChIKeyLAWXEVPFBMFTPB-UHFFFAOYSA-N
XLogP-1.85
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.12
LogP ≤ 5-1.85
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

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Frequently Asked Questions

What is the IUPAC name of sodium;hydride;nitro benzoate?
The IUPAC name of sodium;hydride;nitro benzoate (CID 174940783) is sodium;hydride;nitro benzoate.
What is the SMILES notation for sodium;hydride;nitro benzoate?
The canonical SMILES for sodium;hydride;nitro benzoate is O=C(O[N+](=O)[O-])c1ccccc1.[H-].[Na+].
What is the InChIKey of sodium;hydride;nitro benzoate?
The InChIKey is LAWXEVPFBMFTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO4.Na.H/c9-7(12-8(10)11)6-4-2-1-3-5-6;;/h1-5H;;/q;+1;-1.
What are the key properties of sodium;hydride;nitro benzoate?
sodium;hydride;nitro benzoate has a molecular weight of 191.12 g/mol, XLogP of -1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;nitro benzoate is sourced from PubChem (CID 174940783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).