Benzonitrile, 4-(difluoromethyl)-


Chemical Name: Benzonitrile, 4-(difluoromethyl)-
CAS Number: 55805-10-2
Product Number: AG003AD6(AGN-PC-003NIV)
Synonyms:
MDL No:
Molecular Formula: C8H5F2N
Molecular Weight: 153.1288

Identification/Properties


Computed Properties
Molecular Weight:
153.132g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
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:
162
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+H312+H332-H315-H319-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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