3,4-difluoro-5-(trifluoromethyl)benzoic acid


Chemical Name: 3,4-difluoro-5-(trifluoromethyl)benzoic acid
CAS Number: 237761-76-1
Product Number: AG006UKS(AGN-PC-0KL1I3)
Synonyms:
MDL No:
Molecular Formula: C8H3F5O2
Molecular Weight: 226.1002

Identification/Properties


Properties
Storage:
Keep in dry area;Room Temperature;
Computed Properties
Molecular Weight:
226.102g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
1
Exact Mass:
226.005g/mol
Monoisotopic Mass:
226.005g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
252
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:
Danger
UN#:
2811
Hazard Statements:
H301-H311-H331
Precautionary Statements:
P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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