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Home > Nitro Compounds > 158815-55-5
158815-55-5 | Benzene, 1,2,4-trimethyl-5-nitroso-
CAS No: 158815-55-5 Catalog No: AG001QWA MDL No:
Product Description
Catalog Number:
AG001QWA
Chemical Name:
Benzene, 1,2,4-trimethyl-5-nitroso-
CAS Number:
158815-55-5
Molecular Formula:
C9H11NO
Molecular Weight:
149.1897
IUPAC Name:
1,2,4-trimethyl-5-nitrosobenzene
InChI:
InChI=1S/C9H11NO/c1-6-4-8(3)9(10-11)5-7(6)2/h4-5H,1-3H3
InChI Key:
XDBFNPJWKNRALW-UHFFFAOYSA-N
SMILES:
O=Nc1cc(C)c(cc1C)C
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.084g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
149.193g/mol
Monoisotopic Mass:
149.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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