Basic information
- CAS
46318-58-5- Standard SMILES
COc1ccc(C(=O)C[N+](=O)[O-])cc1- InChIKey
KOQPBLSLOXRDCQ-UHFFFAOYSA-N- Molecular formula
- C9H9NO4
- Average molar mass
- 195.17 g/mol
- Monoisotopic mass
- 195.05315777
Names & identifiers
- Preferred name
- 1-(4-Methoxyphenyl)-2-nitroethanone
- IUPAC
- 1-(4-methoxyphenyl)-2-nitroethanone
Names & synonyms
1-(4-methoxyphenyl)-2-nitroethanone46318-58-5DTXSID10305735RefChem:225329DTXCID202568651-(4-METHOXYPHENYL)-2-NITROETHAN-1-ONENSC522032SCHEMBL28511885NSC171555STL433378AKOS016347790NSC-171555
Show more names
NSC-522032
Database identifiers
- CAS
46318-58-5- PubChem CID
- 299101
- DTXSID
DTXSID10305735- Nikkaji
- J602.411D
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 215
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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