Benzoic acid, 3-bromo-2,6-difluoro-


Chemical Name: Benzoic acid, 3-bromo-2,6-difluoro-
CAS Number: 28314-81-0
Product Number: AG00BFEZ(AGN-PC-001O31)
Synonyms:
MDL No:
Molecular Formula: C7H3BrF2O2
Molecular Weight: 236.9983

Identification/Properties


Properties
MP:
137-139℃
BP:
279.2°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
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:
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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