2-Benzothiazolamine, 4-bromo-


Chemical Name: 2-Benzothiazolamine, 4-bromo-
CAS Number: 20358-02-5
Product Number: AG00290I(AGN-PC-0KBJMS)
Synonyms:
MDL No: MFCD04971840
Molecular Formula: C7H5BrN2S
Molecular Weight: 229.0970

Identification/Properties


Properties
MP:
77-80°C
BP:
366.8°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
229.095g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
227.936g/mol
Monoisotopic Mass:
227.936g/mol
Topological Polar Surface Area:
67.2A^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#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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