217461-92-2
2-(CHLOROMETHYL)-3-(4-CHLOROPHENYL)-2-METHYL-1,2,3,4-TETRAHYDROQUINAZOLIN-4-ONE
Name2-(CHLOROMETHYL)-3-(4-CHLOROPHENYL)-2-METHYL-1,2,3,4-TETRAHYDROQUINAZOLIN-4-ONE
1Identification
【Name】
2-(CHLOROMETHYL)-3-(4-CHLOROPHENYL)-2-METHYL-1,2,3,4-TETRAHYDROQUINAZOLIN-4-ONE
【CAS】
【MDL】
MFCD00107524
【English Synonyms】
【Formula】
C16 H14 Cl2 N2 O
【MolWeight】
321.206
【Inchi】
InChI=1S/C16H14Cl2N2O/c1-16(10-17)19-14-5-3-2-4-13(14)15(21)20(16)12-8-6-11(18)7-9-12/h2-9,19H,10H2,1H3
【InChIKey】
InChIKey=PDHJWVYMASMEIK-UHFFFAOYSA-N
【SMILES】
CC1(Nc2ccccc2C(=O)N1c3ccc(cc3)Cl)CCl
【MOL File】
2-(CHLOROMETHYL)-3-(….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
2-(CHLOROMETHYL)-3-(4-CHLOROPHENYL)-2-METHYL-1,2,3,4-TETRAHYDROQUINAZOLIN-4-ONE.cml