Benzoic acid, 4-bromo-2-hydroxy-, methyl ester


Chemical Name: Benzoic acid, 4-bromo-2-hydroxy-, methyl ester
CAS Number: 22717-56-2
Product Number: AG006WWM(AGN-PC-000106)
Synonyms:
MDL No:
Molecular Formula: C8H7BrO3
Molecular Weight: 231.0434

Identification/Properties


Properties
MP:
41-42°C
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
231.045g/mol
XLogP3:
3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
229.958g/mol
Monoisotopic Mass:
229.958g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
172
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-H332-H335
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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