Benzoic acid, 5-(bromoacetyl)-2-hydroxy-, methyl ester


Chemical Name: Benzoic acid, 5-(bromoacetyl)-2-hydroxy-, methyl ester
CAS Number: 36256-45-8
Product Number: AG00C6GG(AGN-PC-00CFOZ)
Synonyms:
MDL No:
Molecular Formula: C10H9BrO4
Molecular Weight: 273.0801

Identification/Properties


Properties
MP:
91-92°C
BP:
390.2±32.0°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
273.082g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
271.968g/mol
Monoisotopic Mass:
271.968g/mol
Topological Polar Surface Area:
63.6A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
254
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-H332-H335
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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