4-bromo-5-fluoro-2-methylbenzoic acid


Chemical Name: 4-bromo-5-fluoro-2-methylbenzoic acid
CAS Number: 1349715-55-4
Product Number: AG003AA2(AGN-PC-09OU1Z)
Synonyms:
MDL No:
Molecular Formula: C8H6BrFO2
Molecular Weight: 233.0344

Identification/Properties


Computed Properties
Molecular Weight:
233.036g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
231.954g/mol
Monoisotopic Mass:
231.954g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
186
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-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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