Benzonitrile, 2,5-difluoro-4-methyl-


Chemical Name: Benzonitrile, 2,5-difluoro-4-methyl-
CAS Number: 1003708-66-4
Product Number: AG0001QZ(AGN-PC-03WK58)
Synonyms:
MDL No:
Molecular Formula: C8H5F2N
Molecular Weight: 153.1288

Identification/Properties


Computed Properties
Molecular Weight:
153.132g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
153.039g/mol
Monoisotopic Mass:
153.039g/mol
Topological Polar Surface Area:
23.8A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
184
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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