1H-Indole, 5-bromo-


Chemical Name: 1H-Indole, 5-bromo-
CAS Number: 10075-50-0
Product Number: AG0002SG(AGN-PC-0BXAVA)
Synonyms:
MDL No: MFCD00005670
Molecular Formula: C8H6BrN
Molecular Weight: 196.0439

Identification/Properties


Properties
MP:
90-92 °C
BP:
316.9 °C at 760 mmHg
Storage:
Room Temperature;
Form:
Solid
Refractive Index:
1.6550 (estimate)
Solubility:
126mg/l (calculated)
Computed Properties
Molecular Weight:
196.047g/mol
XLogP3:
3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
0
Rotatable Bond Count:
0
Exact Mass:
194.968g/mol
Monoisotopic Mass:
194.968g/mol
Topological Polar Surface Area:
15.8A^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:
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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