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Home > Nitro Compounds > 90745-27-0
90745-27-0 | 1-Nitro-8-methylnaphthalene
CAS No: 90745-27-0 Catalog No: AG00H061 MDL No:
Product Description
Catalog Number:
AG00H061
Chemical Name:
1-Nitro-8-methylnaphthalene
CAS Number:
90745-27-0
IUPAC Name:
1-methyl-8-nitronaphthalene
InChI:
InChI=1S/C11H9NO2/c1-8-4-2-5-9-6-3-7-10(11(8)9)12(13)14/h2-7H,1H3
InChI Key:
VQUZPUQZUDSQJM-UHFFFAOYSA-N
UNII:
O0P4183351
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.063g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.198g/mol
Monoisotopic Mass:
187.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| Mapping the triplet potential energy surface of 1-methyl-8-nitronaphthalene. | The Journal of organic chemistry 20050722 |
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