2-Bromo-3,4-difluorobenzoic acid


Chemical Name: 2-Bromo-3,4-difluorobenzoic acid
CAS Number: 170108-05-1
Product Number: AG00AC3F(AGN-PC-03RD0D)
Synonyms:
MDL No:
Molecular Formula: C7H3BrF2O2
Molecular Weight: 236.9983

Identification/Properties


Computed Properties
Molecular Weight:
237g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
235.928g/mol
Monoisotopic Mass:
235.928g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
188
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
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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