Benzonitrile, 3-fluoro-5-(trifluoromethyl)-


Chemical Name: Benzonitrile, 3-fluoro-5-(trifluoromethyl)-
CAS Number: 149793-69-1
Product Number: AG001M06(AGN-PC-0JS8NU)
Synonyms:
MDL No: MFCD00061282
Molecular Formula: C8H3F4N
Molecular Weight: 189.1097

Identification/Properties


Computed Properties
Molecular Weight:
189.113g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
0
Exact Mass:
189.02g/mol
Monoisotopic Mass:
189.02g/mol
Topological Polar Surface Area:
23.8A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
226
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
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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