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Home > Nitro Compounds > 67083-40-3
67083-40-3 | Benzene, 1,3-dimethyl-5-nitroso-
CAS No: 67083-40-3 Catalog No: AG005R8Q MDL No:MFCD28361830
Product Description
Catalog Number:
AG005R8Q
Chemical Name:
Benzene, 1,3-dimethyl-5-nitroso-
CAS Number:
67083-40-3
Molecular Formula:
C8H9NO
Molecular Weight:
135.1632
MDL Number:
MFCD28361830
IUPAC Name:
1,3-dimethyl-5-nitrosobenzene
InChI:
InChI=1S/C8H9NO/c1-6-3-7(2)5-8(4-6)9-10/h3-5H,1-2H3
InChI Key:
HKPUUXQBOHMULJ-UHFFFAOYSA-N
SMILES:
O=Nc1cc(C)cc(c1)C
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.068g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
135.166g/mol
Monoisotopic Mass:
135.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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