20932-04-1
2-(4-CHLOROPHENYL)-3,5-DIOXO-2,3,4,5-TETRAHYDRO-1,2,4-TRIAZINE-6-CARBONITRILE
Name2-(4-CHLOROPHENYL)-3,5-DIOXO-2,3,4,5-TETRAHYDRO-1,2,4-TRIAZINE-6-CARBONITRILE
1Identification
【Name】
2-(4-CHLOROPHENYL)-3,5-DIOXO-2,3,4,5-TETRAHYDRO-1,2,4-TRIAZINE-6-CARBONITRILE
【CAS】
【MDL】
MFCD01316193
【English Synonyms】
【Formula】
C10 H5 Cl N4 O2
【MolWeight】
248.628
【Inchi】
InChI=1S/C10H5ClN4O2/c11-6-1-3-7(4-2-6)15-10(17)13-9(16)8(5-12)14-15/h1-4H,(H,13,16,17)
【InChIKey】
InChIKey=YPLNUPQUGLQZPI-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1n2c(=O)[nH]c(=O)c(n2)C#N)Cl
【MOL File】
2-(4-CHLOROPHENYL)-3….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
2-(4-CHLOROPHENYL)-3,5-DIOXO-2,3,4,5-TETRAHYDRO-1,2,4-TRIAZINE-6-CARBONITRILE.cml