Basic information
- CAS
88473-88-5- Standard SMILES
O=C([O-])Oc1ccc([N+](=O)[O-])cc1- InChIKey
LOVPHSMOAVXQIH-UHFFFAOYSA-M- Molecular formula
- C7H4NO5-
- Average molar mass
- 182.11 g/mol
- Monoisotopic mass
- 182.00894723
Names & identifiers
- Preferred name
- p-Nitrophenyl carbonate
- IUPAC
- (4-nitrophenyl) carbonate
- English name
- Carbonic acid, mono(4-nitrophenyl) ester
- Molecular formula
- C7H5NO5
- Molecular weight
- 183.12
Names & synonyms
88473-88-5p-Nitrophenyl carbonateDTXSID50619045LOVPHSMOAVXQIH-UHFFFAOYSA-M4-nitrophenyl hydrogen carbonateNintedanib Impurity 134Carbonic acid, mono(4-nitrophenyl) ester
Database identifiers
- CAS
88473-88-5- PubChem CID
- 21864993
- DTXSID
DTXSID50619045
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 95.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- -1
- Complexity
- 198
Physicochemical properties
- Boiling point
- 367.1 · 367.1±44.0 °C(Predicted)
- Density
- 1.527 · 1.527±0.06 g/cm3(Predicted)
- pka
- -0.08 · -0.08±0.12(Predicted)
Chemistry & industry
Suppliers3 total
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
山东利腾生物科技有限公司15020019777 18663721413 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
2 records
Compound notes
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