2-Methyl-7-nitronaphthalene
Basic information
- CAS
91137-28-9- Standard SMILES
Cc1ccc2ccc([N+](=O)[O-])cc2c1- InChIKey
XJUSCPOBHFZRKU-UHFFFAOYSA-N- Molecular formula
- C11H9NO2
- Average molar mass
- 187.19 g/mol
- Monoisotopic mass
- 187.06332853
Names & identifiers
- Preferred name
- 2-Methyl-7-nitronaphthalene
- IUPAC
- 2-methyl-7-nitronaphthalene
- English name
- 2-Methyl-7-nitronaphthalene
- Molecular formula
- C11H9NO2
- Molecular weight
- 187.19
Names & synonyms
2-Methyl-7-nitronaphthalene91137-28-9CCRIS 77659IKH4KOR1WUNII-9IKH4KOR1WDTXSID402384217-METHYL-2-NITRONAPHTHALENENAPHTHALENE, 7-METHYL-2-NITRO-RefChem:88223DTXCID60160912SCHEMBL15267229DB-083886
Show more names
Naphthalene, 2-methyl-7-nitro-
Database identifiers
- CAS
91137-28-9- PubChem CID
- 93497
- DTXSID
DTXSID40238421- UNII
- 9IKH4KOR1W
- Nikkaji
- J737.761D
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
Physicochemical properties
- Melting point
- 105 °C · 105 °C
- Boiling point
- 335.1 · 335.1±11.0 °C(Predicted)
- Density
- 1.234 · 1.234±0.06 g/cm3(Predicted)
- FDA UNII
- 9 IKH4KOR1W · 9IKH4KOR1W
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Related reactions
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Compound notes
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