Basic information
- CAS
99057-28-0- Standard SMILES
CC(=O)Nc1ccc(/C=C/[N+](=O)[O-])c([N+](=O)[O-])c1- InChIKey
IQUZDIXHQUGSFQ-SNAWJCMRSA-N- Molecular formula
- C10H9N3O5
- Average molar mass
- 251.2 g/mol
- Monoisotopic mass
- 251.0542204
Names & identifiers
- Preferred name
- Acetanilide, 3'-nitro-4'-(2-nitrovinyl)-
- IUPAC
- N-[3-nitro-4-[(E)-2-nitroethenyl]phenyl]acetamide
Names & synonyms
ACETANILIDE, 3'-NITRO-4'-(2-NITROVINYL)-99057-28-0RefChem:1075466BRN 31483252-Nitro-4-acetylamino-beta-nitrostyrene3'-Nitro-4'-(2-nitrovinyl)-acetanilide2-Nitro-4-acetilamino-beta-nitrostirene [Italian]2-Nitro-4-acetilamino-beta-nitrostirene4-12-00-02918 (Beilstein Handbook Reference)
Database identifiers
- CAS
99057-28-0- PubChem CID
- 6435570
- Nikkaji
- J85.154J
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 371
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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