Sodium 4-nitrobenzoate
Basic information
- CAS
3847-57-2- Standard SMILES
O=C([O-])c1ccc([N+](=O)[O-])cc1.[Na+]- InChIKey
UFLMJULGUPSTCY-UHFFFAOYSA-M- Molecular formula
- C7H4NNaO4
- Average molar mass
- 189.1 g/mol
- Monoisotopic mass
- 189.00380189
Names & identifiers
- Preferred name
- Sodium 4-nitrobenzoate
- IUPAC
- sodium 4-nitrobenzoate
- English name
- sodium 4-nitrobenzoate
- Molecular formula
- C7H4NNaO4
- Molecular weight
- 189.10073
Names & synonyms
Sodium 4-nitrobenzoate3847-57-2EINECS 223-349-2DTXSID50191790RefChem:183724DTXCID90114281223-349-2sodium p-nitrobenzoatesodium;4-nitrobenzoate4-NITROBENZOATE SODIUMMFCD00797416CHEMBL1762655
Show more names
4-Nitrobenzoic acid sodium
sodium,4-nitrobenzoateBenzoic acid, 4-nitro-, sodium saltSodium4-nitrobenzoate2Z8CZV5S9Lp-Nitrobenzoic acid sodium saltSCHEMBL10436204-Nitrobenzoic acid sodium saltBenzoic acid, p-nitro-, sodium salt
Database identifiers
- CAS
3847-57-2- PubChem CID
- 77456
- DTXSID
DTXSID50191790- ChEMBL
CHEMBL1762655- UNII
- 2Z8CZV5S9L
- EC Number
- 223-349-2
Properties
Computed structural properties
- Topological polar surface area
- 86 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 185
Physicochemical properties
- storage temp.
- Inert atmosphere,Room Temperature
- Appearance
- White to off-white Solid
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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