943553-43-3
2-(1-METHYLETHENYL)-7-(TRIFLUOROMETHYL)-4(3H)-QUINAZOLINONE
Name2-(1-METHYLETHENYL)-7-(TRIFLUOROMETHYL)-4(3H)-QUINAZOLINONE
1Identification
【Name】
2-(1-METHYLETHENYL)-7-(TRIFLUOROMETHYL)-4(3H)-QUINAZOLINONE
【CAS】
【MDL】
MFCD13193727
【English Synonyms】
【Formula】
C12 H9 F3 N2 O
【MolWeight】
254.21
【Inchi】
InChI=1S/C12H9F3N2O/c1-6(2)10-16-9-5-7(12(13,14)15)3-4-8(9)11(18)17-10/h3-5H,1H2,2H3,(H,16,17,18)
【InChIKey】
InChIKey=HGENXAKYBQKLFO-UHFFFAOYSA-N
【SMILES】
CC(=C)c1[nH]c2cc(ccc2c(=O)n1)C(F)(F)F
【MOL File】
2-(1-METHYLETHENYL)-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(1-METHYLETHENYL)-7-(TRIFLUOROMETHYL)-4(3H)-QUINAZOLINONE.cml