Benzene, 1-(methylsulfonyl)-3-nitro-


Chemical Name: Benzene, 1-(methylsulfonyl)-3-nitro-
CAS Number: 2976-32-1
Product Number: AG002ZBU(AGN-PC-0JLPXV)
Synonyms:
MDL No:
Molecular Formula: C7H7NO4S
Molecular Weight: 201.1998

Identification/Properties


Properties
MP:
146℃
BP:
392.8°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
201.196g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
201.01g/mol
Monoisotopic Mass:
201.01g/mol
Topological Polar Surface Area:
88.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
287
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:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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