(6E)-6-[(2-nitroanilino)methylidene]cyclohexa-2,4-dien-1-one
Basic information
- CAS
29644-79-9- Standard SMILES
O=[N+]([O-])c1ccccc1N=Cc1ccccc1O- InChIKey
CQNTZLDBXMDWHG-UHFFFAOYSA-N- Molecular formula
- C13H10N2O3
- Average molar mass
- 242.23 g/mol
- Monoisotopic mass
- 242.06914219
Names & identifiers
- Preferred name
- (6E)-6-[(2-nitroanilino)methylidene]cyclohexa-2,4-dien-1-one
- IUPAC
- 2-[(2-nitrophenyl)iminomethyl]phenol
Names & synonyms
NSC67163129644-79-9NCIOpen2_007037CBDivE_000757SCHEMBL9333914SCHEMBL30946928DTXSID90420197(6E)-6-[(2-nitroanilino)methylidene]cyclohexa-2,4-dien-1-oneNSC101541AKOS027461593NSC-101541NSC-671631
Show more names
2-[(E)-(2-nitrophenyl)iminomethyl]phenol2-(((2-(Hydroxy(oxido)amino)phenyl)imino)methyl)phenol
Database identifiers
- CAS
29644-79-9- PubChem CID
- 265476
- DTXSID
DTXSID90420197- Nikkaji
- J1.940.236C
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 314
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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