Ethyl 4-nitrosobenzoate
Basic information
- CAS
7476-79-1- Standard SMILES
CCOC(=O)c1ccc(N=O)cc1- InChIKey
QKVJSTCHTZXKHI-UHFFFAOYSA-N- Molecular formula
- C9H9NO3
- Average molar mass
- 179.17 g/mol
- Monoisotopic mass
- 179.05824315
Names & identifiers
- Preferred name
- Ethyl 4-nitrosobenzoate
- IUPAC
- ethyl 4-nitrosobenzoate
- English name
- 4-Nitrosobenzoic acid ethyl ester
- Molecular formula
- C9H9NO3
- Molecular weight
- 179.17
Names & synonyms
Ethyl 4-nitrosobenzoateEthyl p-nitrosobenzoate7476-79-14-Nitrosobenzoic acid ethyl esterBenzoic acid, 4-nitroso-, ethyl esterBenzoic acid, p-nitroso-, ethyl esterEthyl 4-nitrosobenzoate #p-NitrosobenzoesaureathylesterSCHEMBL1548153DTXSID80323067NSC402965NSC-402965
Show more names
Adrenaline Impurity 68p-Nitrosobenzoic acid ethyl ester
Database identifiers
- CAS
7476-79-1- PubChem CID
- 345356
- DTXSID
DTXSID80323067- Nikkaji
- J126.340D
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 55.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 185
Related reactions
1 records
Compound notes
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