Ethanone, 1-(2-benzothiazolyl)-2-bromo-


Chemical Name: Ethanone, 1-(2-benzothiazolyl)-2-bromo-
CAS Number: 54223-20-0
Product Number: AG00I9OM(AGN-PC-0KKXEE)
Synonyms:
MDL No:
Molecular Formula: C9H6BrNOS
Molecular Weight: 256.1190

Identification/Properties


Properties
MP:
86-87 °C
BP:
347.7°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
256.117g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
254.935g/mol
Monoisotopic Mass:
254.935g/mol
Topological Polar Surface Area:
58.2A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
212
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#:
1759
Hazard Statements:
H314-H318
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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