Basic information
- CAS
119087-36-4- Standard SMILES
CC(=O)Oc1cccc2c([N+](=O)[O-])c3ccc4ccccc4c3cc12- InChIKey
GOUKLISLNDAWJX-UHFFFAOYSA-N- Molecular formula
- C20H13NO4
- Average molar mass
- 331.3 g/mol
- Monoisotopic mass
- 331.0844579
Names & identifiers
- Preferred name
- Benz(a)anthracen-11-ol, 7-nitro-, acetate (ester)
- IUPAC
- (7-nitrobenzo[a]anthracen-11-yl) acetate
Names & synonyms
Benz(a)anthracen-11-ol, 7-nitro-, acetate (ester)119087-36-47-Nitrobenz(a)anthracen-11-ol acetate (ester)DTXSID001523117-NITROTETRAPHEN-11-YL ACETATE
Database identifiers
- CAS
119087-36-4- PubChem CID
- 147336
- DTXSID
DTXSID00152311
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 530
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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