Home Nitriles 5-phenoxypyrazine-2-carbonitrile

5-phenoxypyrazine-2-carbonitrile

CAS No.:
1409746-86-6
Catalog Number:
AG01A680
Molecular Formula:
C11H7N3O
Molecular Weight:
197.1928
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Product Description
Catalog Number:
AG01A680
Chemical Name:
5-phenoxypyrazine-2-carbonitrile
CAS Number:
1409746-86-6
Molecular Formula:
C11H7N3O
Molecular Weight:
197.1928
MDL Number:
MFCD21379132
IUPAC Name:
5-phenoxypyrazine-2-carbonitrile
InChI:
InChI=1S/C11H7N3O/c12-6-9-7-14-11(8-13-9)15-10-4-2-1-3-5-10/h1-5,7-8H
InChI Key:
UDPWXHWLSYTFRP-UHFFFAOYSA-N
SMILES:
N#Cc1ncc(nc1)Oc1ccccc1
Properties
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.059g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.197g/mol
Monoisotopic Mass:
197.059g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
58.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties