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29690-22-0 | Benzene, 4-methyl-2-(methylthio)-1-nitro-
CAS No: 29690-22-0 Catalog No: AG002Z4P MDL No:
Product Description
Catalog Number:
AG002Z4P
Chemical Name:
Benzene, 4-methyl-2-(methylthio)-1-nitro-
CAS Number:
29690-22-0
Molecular Formula:
C8H9NO2S
Molecular Weight:
183.2276
IUPAC Name:
4-methyl-2-methylsulfanyl-1-nitrobenzene
InChI:
InChI=1S/C8H9NO2S/c1-6-3-4-7(9(10)11)8(5-6)12-2/h3-5H,1-2H3
InChI Key:
PSHOIEMEQBSIIG-UHFFFAOYSA-N
SMILES:
CSc1cc(C)ccc1[N+](=O)[O-]
NSC Number:
136302
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.035g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.225g/mol
Monoisotopic Mass:
183.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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