Benzonitrile, 3-phenoxy-


Chemical Name: Benzonitrile, 3-phenoxy-
CAS Number: 50789-45-2
Product Number: AG003JV0(AGN-PC-0KTZQ3)
Synonyms:
MDL No: MFCD05669318
Molecular Formula: C13H9NO
Molecular Weight: 195.2167

Identification/Properties


Properties
BP:
310.7°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
195.221g/mol
XLogP3:
3.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
195.068g/mol
Monoisotopic Mass:
195.068g/mol
Topological Polar Surface Area:
33A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
236
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-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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