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Home > Nitro Compounds > 1196-12-9
1196-12-9 | Benzene, 1,3,5-trimethyl-2-nitroso-
CAS No: 1196-12-9 Catalog No: AG000P8U MDL No:
Product Description
Catalog Number:
AG000P8U
Chemical Name:
Benzene, 1,3,5-trimethyl-2-nitroso-
CAS Number:
1196-12-9
Molecular Formula:
C9H11NO
Molecular Weight:
149.1897
IUPAC Name:
1,3,5-trimethyl-2-nitrosobenzene
InChI:
InChI=1S/C9H11NO/c1-6-4-7(2)9(10-11)8(3)5-6/h4-5H,1-3H3
InChI Key:
FEKDDEQYKDNKJG-UHFFFAOYSA-N
SMILES:
O=Nc1c(C)cc(cc1C)C
Properties
Complexity:
135
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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