Basic information
- CAS
105752-67-8- Standard SMILES
Cc1cccc2cc([N+](=O)[O-])ccc12- InChIKey
SOXBGESONWKYDX-UHFFFAOYSA-N- Molecular formula
- C11H9NO2
- Average molar mass
- 187.19 g/mol
- Monoisotopic mass
- 187.06332853
Names & identifiers
- Preferred name
- 1-Methyl-6-nitronaphthalene
- IUPAC
- 1-methyl-6-nitronaphthalene
- English name
- 1-Methyl-6-nitronaphthalene
- Molecular formula
- C11H9NO2
- Molecular weight
- 187.19
Names & synonyms
1-Methyl-6-nitronaphthalene105752-67-8CCRIS 77617B39DGQ92ONaphthalene, 1-methyl-6-nitro-UNII-7B39DGQ92ODTXSID701473155-METHYL-2-NITRONAPHTHALENERefChem:76351DTXCID8069806Naphthalene,1-methyl-6-nitro-1-methyl-6-nitro-naphthalene
Show more names
1-Methyl-6-nitronaphthalene in methanol
SCHEMBL9719324SCHEMBL16289713AKOS006277482DB-083930
Database identifiers
- CAS
105752-67-8- PubChem CID
- 86258
- DTXSID
DTXSID70147315- UNII
- 7B39DGQ92O
- Nikkaji
- J737.759B
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
- 14
- Formal charge
- 0
- Complexity
- 224
Physicochemical properties
- Henry's Law Constant
- 5 · 5.0×100 mol/(m3Pa) at 25℃, Parnis et al. (2015)
- FDA UNII
- 7 B39DGQ92O · 7B39DGQ92O
Chemistry & industry
Suppliers4 total
坛墨质检科技股份有限公司4008-099-669 · [email protected]
SYNCHEM-OHG[email protected]
CHIRON[email protected]
上海甄准生物科技有限公司15800340161 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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