Benzo[b]thiophene, 3-(bromomethyl)-5-chloro-


Chemical Name: Benzo[b]thiophene, 3-(bromomethyl)-5-chloro-
CAS Number: 1198-51-2
Product Number: AG000PNR(AGN-PC-0KKZV5)
Synonyms:
MDL No:
Molecular Formula: C9H6BrClS
Molecular Weight: 261.5659

Identification/Properties


Properties
MP:
129-130 °C
BP:
345.5°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
261.561g/mol
XLogP3:
4.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
259.906g/mol
Monoisotopic Mass:
259.906g/mol
Topological Polar Surface Area:
28.2A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
165
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


NMR Spectrum


Other Analytical Data


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