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Home > Nitro Compounds > 143922-95-6
143922-95-6 | Benzene, 2-methyl-1-nitro-3-nitroso-
CAS No: 143922-95-6 Catalog No: AG001IMF MDL No:
Product Description
Catalog Number:
AG001IMF
Chemical Name:
Benzene, 2-methyl-1-nitro-3-nitroso-
CAS Number:
143922-95-6
Molecular Formula:
C7H6N2O3
Molecular Weight:
166.1341
IUPAC Name:
2-methyl-1-nitro-3-nitrosobenzene
InChI:
InChI=1S/C7H6N2O3/c1-5-6(8-10)3-2-4-7(5)9(11)12/h2-4H,1H3
InChI Key:
IMKJLWRKHDPLMZ-UHFFFAOYSA-N
SMILES:
O=Nc1cccc(c1C)[N+](=O)[O-]
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.038g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.136g/mol
Monoisotopic Mass:
166.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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