Home Nitriles 2-(4-methoxyphenoxymethyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile

2-(4-methoxyphenoxymethyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile

CAS No.:
1112384-40-3
Catalog Number:
AG01BECJ
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG01BECJ
Chemical Name:
2-(4-methoxyphenoxymethyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
CAS Number:
1112384-40-3
MDL Number:
MFCD20231919
IUPAC Name:
2-[(4-methoxyphenoxy)methyl]-6-oxo-1H-pyrimidine-5-carbonitrile
InChI:
InChI=1S/C13H11N3O3/c1-18-10-2-4-11(5-3-10)19-8-12-15-7-9(6-14)13(17)16-12/h2-5,7H,8H2,1H3,(H,15,16,17)
InChI Key:
UWYRAXHKVWYFPP-UHFFFAOYSA-N
Properties
Complexity:
453  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.08g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
257.249g/mol
Monoisotopic Mass:
257.08g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
83.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties