2,1,3-Benzothiadiazole, 4-bromo-7-methyl-


Chemical Name: 2,1,3-Benzothiadiazole, 4-bromo-7-methyl-
CAS Number: 2255-80-3
Product Number: AG007OBJ(AGN-PC-007XA0)
Synonyms:
MDL No:
Molecular Formula: C7H5BrN2S
Molecular Weight: 229.0970

Identification/Properties


Computed Properties
Molecular Weight:
229.095g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
227.936g/mol
Monoisotopic Mass:
227.936g/mol
Topological Polar Surface Area:
54A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
155
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#:
-
Hazard Statements:
H302-H315-H320-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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