75838-07-2
1-(2-CHLOROPHENYL)-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBONITRILE
Name1-(2-CHLOROPHENYL)-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBONITRILE
1Identification
【Name】
1-(2-CHLOROPHENYL)-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBONITRILE
【CAS】
【MDL】
MFCD00203976
【English Synonyms】
【Formula】
C11 H6 Cl N3 O2
【MolWeight】
247.64
【Inchi】
InChI=1S/C11H6ClN3O2/c12-8-3-1-2-4-9(8)15-6-7(5-13)10(16)14-11(15)17/h1-4,6H,(H,14,16,17)
【InChIKey】
InChIKey=UVSIKTWSCJKJJQ-UHFFFAOYSA-N
【SMILES】
c1ccc(c(c1)n2cc(c(=O)[nH]c2=O)C#N)Cl
【MOL File】
1-(2-CHLOROPHENYL)-2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
1-(2-CHLOROPHENYL)-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBONITRILE.cml