3-bromo-2-methoxy-4,5-dimethylbenzoic acid


Chemical Name: 3-bromo-2-methoxy-4,5-dimethylbenzoic acid
CAS Number: 1245532-88-0
Product Number: AG000M6S(AGN-PC-0WAM0O)
Synonyms:
MDL No:
Molecular Formula: C10H11BrO3
Molecular Weight: 259.0965

Identification/Properties


Computed Properties
Molecular Weight:
259.099g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
257.989g/mol
Monoisotopic Mass:
257.989g/mol
Topological Polar Surface Area:
46.5A^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#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



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