Benzoic acid, 4-(bromoacetyl)-, methyl ester


Chemical Name: Benzoic acid, 4-(bromoacetyl)-, methyl ester
CAS Number: 56893-25-5
Product Number: AG0037MB(AGN-PC-00NAMA)
Synonyms:
MDL No:
Molecular Formula: C10H9BrO3
Molecular Weight: 257.0807

Identification/Properties


Properties
BP:
342.783°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
257.083g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
255.974g/mol
Monoisotopic Mass:
255.974g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
219
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:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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