3-cyano-5-(trifluoromethyl)benzoic acid


Chemical Name: 3-cyano-5-(trifluoromethyl)benzoic acid
CAS Number: 942077-16-9
Product Number: AG003JC2(AGN-PC-0CN2JA)
Synonyms:
MDL No: MFCD16610738
Molecular Formula: C9H4F3NO2
Molecular Weight: 215.1288

Identification/Properties


Properties
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
215.13g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
1
Exact Mass:
215.019413g/mol
Monoisotopic Mass:
215.019413g/mol
Topological Polar Surface Area:
61.1Ų
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
304
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-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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