Basic information
- CAS
7575-55-5- Standard SMILES
CC(=O)c1ccc2c3c(ccc([N+](=O)[O-])c13)CC2- InChIKey
NILUBKLGLNBQQU-UHFFFAOYSA-N- Molecular formula
- C14H11NO3
- Average molar mass
- 241.24 g/mol
- Monoisotopic mass
- 241.07389321
Names & identifiers
- Preferred name
- 1-(6-Nitro-1,2-dihydroacenaphthylen-5-yl)ethanone
- IUPAC
- 1-(6-nitro-1,2-dihydroacenaphthylen-5-yl)ethanone
Names & synonyms
7575-55-51-(6-nitro-1,2-dihydroacenaphthylen-5-yl)ethanoneEthanone,1-(1,2-dihydro-6-nitro-5-acenaphthylenyl)-MLS002920623F0020-1882NSC144443CHEMBL2136248DTXSID80997146SMSSF-0059016NSC1444271-(6-nitroacenaphthen-5-yl)ethanoneAKOS002347547
Show more names
NSC-144427NSC-1444431-(6-nitro-5-acenaphthenyl)-1-ethanoneSMR001798210DS-010872SR-01000004770SR-01000004770-11-(6-nitro-1,2-dihydroacenaphthylen-5-yl)ethan-1-one
Database identifiers
- CAS
7575-55-5- PubChem CID
- 286347
- DTXSID
DTXSID80997146- ChEMBL
CHEMBL2136248
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 376
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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