Benzene, 1-methoxy-2,3-dimethyl-4-nitro-


Chemical Name: Benzene, 1-methoxy-2,3-dimethyl-4-nitro-
CAS Number: 81029-03-0
Product Number: AG003FK2(AGN-PC-0JTIET)
Synonyms:
MDL No: MFCD00007163
Molecular Formula: C9H11NO3
Molecular Weight: 181.1885

Identification/Properties


Properties
MP:
70-73 °C(lit.)
BP:
303.2°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Refractive Index:
1.5270 (estimate)
Computed Properties
Molecular Weight:
181.191g/mol
XLogP3:
3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
181.074g/mol
Monoisotopic Mass:
181.074g/mol
Topological Polar Surface Area:
55A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
190
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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