2-Methyl-3-nitronaphthalene
Basic information
- CAS
1204-72-4- Standard SMILES
Cc1cc2ccccc2cc1[N+](=O)[O-]- InChIKey
JRCKIYRHGRWCMT-UHFFFAOYSA-N- Molecular formula
- C11H9NO2
- Average molar mass
- 187.19 g/mol
- Monoisotopic mass
- 187.06332853
Names & identifiers
- Preferred name
- 2-Methyl-3-nitronaphthalene
- IUPAC
- 2-methyl-3-nitronaphthalene
Names & synonyms
2-Methyl-3-nitronaphthaleneNAPHTHALENE, 2-METHYL-3-NITRO-1204-72-43-Methyl-2-nitronaphthaleneST974T5AKXCCRIS 7760BRN 1954521UNII-ST974T5AKXCHEMBL167121SCHEMBL7614116SCHEMBL16294052DTXSID00152851
Database identifiers
- CAS
1204-72-4- PubChem CID
- 14563
- DTXSID
DTXSID00152851- ChEMBL
CHEMBL167121- UNII
- ST974T5AKX
- Nikkaji
- J58.175E
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 224
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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