2-amino-6-bromo-3-fluorobenzoic acid


Chemical Name: 2-amino-6-bromo-3-fluorobenzoic acid
CAS Number: 1153974-98-1
Product Number: AG000FXB(AGN-PC-06NMWF)
Synonyms:
MDL No:
Molecular Formula: C7H5BrFNO2
Molecular Weight: 234.0225

Identification/Properties


Computed Properties
Molecular Weight:
234.024g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
232.949g/mol
Monoisotopic Mass:
232.949g/mol
Topological Polar Surface Area:
63.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
190
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-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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