Benzoic acid, 2,3,6-trifluoro-


Chemical Name: Benzoic acid, 2,3,6-trifluoro-
CAS Number: 2358-29-4
Product Number: AG002NR9(AGN-PC-0JS992)
Synonyms:
MDL No:
Molecular Formula: C7H3F3O2
Molecular Weight: 176.0927

Identification/Properties


Properties
MP:
130-131 °C(lit.)
BP:
233.5°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
176.094g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
176.009g/mol
Monoisotopic Mass:
176.009g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
186
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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