Cas no 1204-72-4 (Naphthalene,2-methyl-3-nitro-)
Naphthalene,2-methyl-3-nitro- structure
Product Name:Naphthalene,2-methyl-3-nitro-
Naphthalene,2-methyl-3-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Naphthalene,2-methyl-3-nitro-
- 2-methyl-3-nitronaphthalene
- DTXSID00152851
- 1204-72-4
- ST974T5AKX
- BRN 1954521
- NAPHTHALENE, 2-METHYL-3-NITRO-
- CHEMBL167121
- CCRIS 7760
- SCHEMBL7614116
- 3-Methyl-2-nitronaphthalene
- UNII-ST974T5AKX
-
- Inchi： 1S/C11H9NO2/c1-8-6-9-4-2-3-5-10(9)7-11(8)12(13)14/h2-7H,1H3
- InChI Key： JRCKIYRHGRWCMT-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=C2C=CC=CC2=CC=1C)=O
Computed Properties
- Exact Mass: 187.06337
- Monoisotopic Mass: 187.063328530g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 224
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.4
- Topological Polar Surface Area: 45.8?2
Experimental Properties
- PSA: 43.14
Naphthalene,2-methyl-3-nitro- Related Literature
-
1. Friedel–Crafts acylations of aromatic hydrocarbons. Part XV. Acetylation of 2-methylnaphthaleneP. H. Gore,A. S. Siddiquei,S. Thorburn J. Chem. Soc. Perkin Trans. 1 1972 1781
-
2. Nitration of dimethylnaphthalenes in acetic anhydrideAlun Davies,Keith D. Warren J. Chem. Soc. B 1969 873
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