Benzothiazole, 6-bromo-2-chloro-


Chemical Name: Benzothiazole, 6-bromo-2-chloro-
CAS Number: 80945-86-4
Product Number: AG003N3Q(AGN-PC-0KBJMC)
Synonyms:
MDL No: MFCD04971822
Molecular Formula: C7H3BrClNS
Molecular Weight: 248.5274

Identification/Properties


Properties
MP:
101 - 102 °C
BP:
157 - 159 °C at 18 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
248.522g/mol
XLogP3:
4.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
246.886g/mol
Monoisotopic Mass:
246.886g/mol
Topological Polar Surface Area:
41.1A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
157
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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