Benzene, 1-[(1-methylethyl)thio]-2-nitro-


Chemical Name: Benzene, 1-[(1-methylethyl)thio]-2-nitro-
CAS Number: 70415-85-9
Product Number: AG00IC25(AGN-PC-0NJ7C7)
Synonyms:
MDL No:
Molecular Formula: C9H11NO2S
Molecular Weight: 197.2541

Identification/Properties


Computed Properties
Molecular Weight:
197.252g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
197.051g/mol
Monoisotopic Mass:
197.051g/mol
Topological Polar Surface Area:
71.1A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
179
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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