1,3-Benzenediol, 5-bromo-


Chemical Name: 1,3-Benzenediol, 5-bromo-
CAS Number: 106120-04-1
Product Number: AG003ML1(AGN-PC-0JSULR)
Synonyms:
MDL No: MFCD16293393
Molecular Formula: C6H5BrO2
Molecular Weight: 189.0067

Identification/Properties


Properties
MP:
90.0 to 95.0 °C
BP:
299.9°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
189.008g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
187.947g/mol
Monoisotopic Mass:
187.947g/mol
Topological Polar Surface Area:
40.5A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
87.1
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#:
-
Hazard Statements:
H302-H315-H319
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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