Home Nitriles 2-Pyrimidinecarbonitrile, 5-(phenylmethoxy)-

2-Pyrimidinecarbonitrile, 5-(phenylmethoxy)-

CAS No.:
166672-22-6
Catalog Number:
AG001WVJ
Molecular Formula:
C12H9N3O
Molecular Weight:
211.2194
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Product Description
Catalog Number:
AG001WVJ
Chemical Name:
2-Pyrimidinecarbonitrile, 5-(phenylmethoxy)-
CAS Number:
166672-22-6
Molecular Formula:
C12H9N3O
Molecular Weight:
211.2194
MDL Number:
MFCD09879704
IUPAC Name:
5-phenylmethoxypyrimidine-2-carbonitrile
InChI:
InChI=1S/C12H9N3O/c13-6-12-14-7-11(8-15-12)16-9-10-4-2-1-3-5-10/h1-5,7-8H,9H2
InChI Key:
IGWUAUDJTKKCAB-UHFFFAOYSA-N
SMILES:
N#Cc1ncc(cn1)OCc1ccccc1
Properties
Complexity:
246  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.075g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.224g/mol
Monoisotopic Mass:
211.075g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
58.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties