Benzoic acid, 5-bromo-2-hydroxy-4-methyl-, methyl ester


Chemical Name: Benzoic acid, 5-bromo-2-hydroxy-4-methyl-, methyl ester
CAS Number: 39503-57-6
Product Number: AG003RXC(AGN-PC-008UM8)
Synonyms:
MDL No:
Molecular Formula: C9H9BrO3
Molecular Weight: 245.0700

Identification/Properties


Properties
MP:
48°C
BP:
288.9±35.0°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
245.072g/mol
XLogP3:
3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
243.974g/mol
Monoisotopic Mass:
243.974g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
195
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


NMR Spectrum


Other Analytical Data


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