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Home > Nitro Compounds > 82414-02-6
82414-02-6 | Benzene,1-methyl-4-nitro-2-nitroso-
CAS No: 82414-02-6 Catalog No: AG005BQ2 MDL No:
Product Description
Catalog Number:
AG005BQ2
Chemical Name:
Benzene,1-methyl-4-nitro-2-nitroso-
CAS Number:
82414-02-6
Molecular Formula:
C7H6N2O3
Molecular Weight:
166.1341
IUPAC Name:
1-methyl-4-nitro-2-nitrosobenzene
InChI:
InChI=1S/C7H6N2O3/c1-5-2-3-6(9(11)12)4-7(5)8-10/h2-4H,1H3
InChI Key:
NOIZTWYRRJGHAL-UHFFFAOYSA-N
SMILES:
O=Nc1cc(ccc1C)[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:
1.9
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