2,6-Dimethyl-1-nitronaphthalene
Basic information
- CAS
20027-87-6- Standard SMILES
Cc1ccc2c([N+](=O)[O-])c(C)ccc2c1- InChIKey
SIAZHPSJFVHCGZ-UHFFFAOYSA-N- Molecular formula
- C12H11NO2
- Average molar mass
- 201.22 g/mol
- Monoisotopic mass
- 201.07897859
Names & identifiers
- Preferred name
- 2,6-Dimethyl-1-nitronaphthalene
- IUPAC
- 2,6-dimethyl-1-nitronaphthalene
Names & synonyms
2,6-dimethyl-1-nitronaphthalene20027-87-6naphthalene, 2,6-dimethyl-1-nitro-DTXSID20348774RefChem:248456DTXCID50299846InChI=1/C12H11NO2/c1-8-3-6-11-10(7-8)5-4-9(2)12(11)13(14)15/h3-7H,1-2HSCHEMBL11208992
Database identifiers
- CAS
20027-87-6- PubChem CID
- 640608
- DTXSID
DTXSID20348774- Nikkaji
- J2.159.820H
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 248
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
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Related reactions
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Compound notes
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