Benzonitrile, 4-(2-pyrimidinyloxy)-


Chemical Name: Benzonitrile, 4-(2-pyrimidinyloxy)-
CAS Number: 353259-03-7
Product Number: AG00D56K(AGN-PC-0JXTPY)
Synonyms:
MDL No:
Molecular Formula: C11H7N3O
Molecular Weight: 197.1928

Identification/Properties


Computed Properties
Molecular Weight:
197.197g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
197.059g/mol
Monoisotopic Mass:
197.059g/mol
Topological Polar Surface Area:
58.8A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
234
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
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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