1-bromo-5-methoxy-2-methyl-4-nitrobenzene


Chemical Name: 1-bromo-5-methoxy-2-methyl-4-nitrobenzene
CAS Number: 1089281-86-6
Product Number: AG003MJI(AGN-PC-0CXYB2)
Synonyms:
MDL No: MFCD20482626
Molecular Formula: C8H8BrNO3
Molecular Weight: 246.0580

Identification/Properties


Properties
Storage:
Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
246.06g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
244.969g/mol
Monoisotopic Mass:
244.969g/mol
Topological Polar Surface Area:
55A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
194
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:
Danger
UN#:
2811
Hazard Statements:
H301-H311-H331
Precautionary Statements:
P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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