Benzo[b]thiophene, 4-bromo-


Chemical Name: Benzo[b]thiophene, 4-bromo-
CAS Number: 5118-13-8
Product Number: AG003749(AGN-PC-0NHREQ)
Synonyms:
MDL No:
Molecular Formula: C8H5BrS
Molecular Weight: 213.0943

Identification/Properties


Properties
BP:
284.7°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
213.092g/mol
XLogP3:
3.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
211.93g/mol
Monoisotopic Mass:
211.93g/mol
Topological Polar Surface Area:
28.2A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
126
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:
H302-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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