Benzeneacetonitrile, 3-chloro-4-fluoro-


Chemical Name: Benzeneacetonitrile, 3-chloro-4-fluoro-
CAS Number: 658-98-0
Product Number: AG003J82(AGN-PC-0KKVN4)
Synonyms:
MDL No:
Molecular Formula: C8H5ClFN
Molecular Weight: 169.5834

Identification/Properties


Properties
BP:
262°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
169.583g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
169.009g/mol
Monoisotopic Mass:
169.009g/mol
Topological Polar Surface Area:
23.8A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
174
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#:
-
Hazard Statements:
H302-H312-H332
Precautionary Statements:
P262-P280
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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