2-Methyl-6-nitronaphthalene
Basic information
- CAS
54357-08-3- Standard SMILES
Cc1ccc2cc([N+](=O)[O-])ccc2c1- InChIKey
STVPPZVCZQZHLW-UHFFFAOYSA-N- Molecular formula
- C11H9NO2
- Average molar mass
- 187.19 g/mol
- Monoisotopic mass
- 187.06332853
Names & identifiers
- Preferred name
- 2-Methyl-6-nitronaphthalene
- IUPAC
- 2-methyl-6-nitronaphthalene
- English name
- 2-Methyl-6-nitronaphthalene
- Molecular formula
- C11H9NO2
- Molecular weight
- 187.19
Names & synonyms
2-Methyl-6-nitronaphthaleneNaphthalene, 2-methyl-6-nitro-CCRIS 77669HL2XIR14OUNII-9HL2XIR14ODTXSID502027396-METHYL-2-NITRONAPHTHALENERefChem:88209DTXCID30125230InChI=1/C11H9NO2/c1-8-2-3-10-7-11(12(13)14)5-4-9(10)6-8/h2-7H,1H54357-08-3SCHEMBL9719279
Show more names
SCHEMBL16289616AKOS000281435DB-083724
Database identifiers
- CAS
54357-08-3- PubChem CID
- 93294
- DTXSID
DTXSID50202739- UNII
- 9HL2XIR14O
- Nikkaji
- J737.762B
Properties
Computed structural properties
- XLogP
- 3.6
- 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
Physicochemical properties
- FDA UNII
- 9 HL2XIR14O · 9HL2XIR14O
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Related reactions
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Compound notes
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