Basic information
- CAS
5329-87-3- Standard SMILES
O=[N+]([O-])c1ccc2c(c1)CCc1ccccc1-2- InChIKey
IMIZVPSPWHGFCM-UHFFFAOYSA-N- Molecular formula
- C14H11NO2
- Average molar mass
- 225.24 g/mol
- Monoisotopic mass
- 225.07897859
Names & identifiers
- Preferred name
- 2-Nitro-9,10-dihydrophenanthrene
- IUPAC
- 2-nitro-9,10-dihydrophenanthrene
- English name
- 2-Nitro-9,10-dihydrophenanthrene
- Molecular formula
- C14H11NO2
- Molecular weight
- 225.24
Names & synonyms
2-Nitro-9,10-dihydrophenanthrene9,10-Dihydro-2-nitrophenanthrenePhenanthrene, 9,10-dihydro-2-nitro-V9L4MBA9V4NSC-2610DTXSID30967874RefChem:88695DTXCID601395468IMIZVPSPWHGFCM-UHFFFAOYSA-N5329-87-3CCRIS 3369NSC 2610
Show more names
BRN 2277615NSC2610UNII-V9L4MBA9V4Oprea1_8634333-05-00-01991 (Beilstein Handbook Reference)CHEMBL164049SCHEMBL1527540SCHEMBL31456586
Database identifiers
- CAS
5329-87-3- PubChem CID
- 79236
- DTXSID
DTXSID30967874- ChEMBL
CHEMBL164049- UNII
- V9L4MBA9V4
- Nikkaji
- J104.609H
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 299
Physicochemical properties
- FDA UNII
- 9 L4MBA9V4 · V9L4MBA9V4
Chemistry & industry
Suppliers1 total
Ryan Scientific, Inc.[email protected]
Related reactions
5 records
Compound notes
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