5-bromo-7-fluoroisoindolin-1-one


Chemical Name: 5-bromo-7-fluoroisoindolin-1-one
CAS Number: 957346-37-1
Product Number: AG00IJF9(AGN-PC-086DM8)
Synonyms:
MDL No:
Molecular Formula: C8H5BrFNO
Molecular Weight: 230.0338

Identification/Properties


Computed Properties
Molecular Weight:
230.036g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
228.954g/mol
Monoisotopic Mass:
228.954g/mol
Topological Polar Surface Area:
29.1A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
211
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-H320-H335
Precautionary Statements:
P264-P270-P301+P312-P330
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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