Benzonitrile, 4-bromo-2-(trifluoromethyl)-


Chemical Name: Benzonitrile, 4-bromo-2-(trifluoromethyl)-
CAS Number: 191165-13-6
Product Number: AG002F3A(AGN-PC-03O90X)
Synonyms:
MDL No: MFCD06659466
Molecular Formula: C8H3BrF3N
Molecular Weight: 250.0153

Identification/Properties


Computed Properties
Molecular Weight:
250.018g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
248.94g/mol
Monoisotopic Mass:
248.94g/mol
Topological Polar Surface Area:
23.8A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
229
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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