3-(4-Nitrophenyl)-3,4-dihydronaphthalen-1(2H)-one
Basic information
- CAS
90035-35-1- Standard SMILES
O=C1CC(c2ccc([N+](=O)[O-])cc2)Cc2ccccc21- InChIKey
LJXQMISDXSUPAA-UHFFFAOYSA-N- Molecular formula
- C16H13NO3
- Average molar mass
- 267.28 g/mol
- Monoisotopic mass
- 267.08954328
Names & identifiers
- Preferred name
- 3-(4-Nitrophenyl)-3,4-dihydronaphthalen-1(2H)-one
- IUPAC
- 3-(4-nitrophenyl)-3,4-dihydro-2H-naphthalen-1-one
Names & synonyms
90035-35-13-(4-Nitrophenyl)-3,4-dihydronaphthalen-1(2H)-oneSCHEMBL10985659DTXSID20604600
Database identifiers
- CAS
90035-35-1- PubChem CID
- 20280943
- DTXSID
DTXSID20604600
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 382
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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