Basic information
- CAS
61631-80-9- Standard SMILES
Nc1ccc2c3c(ccc([N+](=O)[O-])c13)CC2- InChIKey
IYLGGBYTVZQMAU-UHFFFAOYSA-N- Molecular formula
- C12H10N2O2
- Average molar mass
- 214.22 g/mol
- Monoisotopic mass
- 214.07422757
Names & identifiers
- Preferred name
- (6-Amino-1,2-dihydro-5-acenaphthylenyl)(hydroxy)azane oxide
- IUPAC
- 6-nitro-1,2-dihydroacenaphthylen-5-amine
Names & synonyms
6-nitro-1,2-dihydroacenaphthylen-5-amine61631-80-9(6-Amino-1,2-dihydro-5-acenaphthylenyl)(hydroxy)azane oxideNSC144452NSC 144452MLS002920629NSC-1444525-Amino-6-nitroacenaphtheneRGC8M53TFT5-Acenaphthenamine, 6-nitro-CHEMBL2143661SCHEMBL11546861
Show more names
DTXSID20210649SMR0017982161,2-Dihydro-6-nitro-5-acenaphthylenamine5-Acenaphthylenamine, 1,2-dihydro-6-nitro-
Database identifiers
- CAS
61631-80-9- PubChem CID
- 286368
- DTXSID
DTXSID20210649- ChEMBL
CHEMBL2143661- UNII
- RGC8M53TFT
- Nikkaji
- J36.348K
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 302
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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