5-bromo-2-fluoro-3-nitrobenzoic acid


Chemical Name: 5-bromo-2-fluoro-3-nitrobenzoic acid
CAS Number: 1153279-80-1
Product Number: AG000GLE(AGN-PC-03Q8UB)
Synonyms:
MDL No:
Molecular Formula: C7H3BrFNO4
Molecular Weight: 264.0054

Identification/Properties


Computed Properties
Molecular Weight:
264.006g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
262.923g/mol
Monoisotopic Mass:
262.923g/mol
Topological Polar Surface Area:
83.1A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
257
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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