864376-56-7
2-(3-CHLOROPHENYL)-4-METHYL-4-(1-METHYLETHYL)-5(4H)-OXAZOLONE
Name2-(3-CHLOROPHENYL)-4-METHYL-4-(1-METHYLETHYL)-5(4H)-OXAZOLONE
1Identification
【Name】
2-(3-CHLOROPHENYL)-4-METHYL-4-(1-METHYLETHYL)-5(4H)-OXAZOLONE
【CAS】
【MDL】
MFCD16878562
【English Synonyms】
【Formula】
C13 H14 Cl N O2
【MolWeight】
251.712
【Inchi】
InChI=1S/C13H14ClNO2/c1-8(2)13(3)12(16)17-11(15-13)9-5-4-6-10(14)7-9/h4-8H,1-3H3
【InChIKey】
InChIKey=AFGNSKOSFFKGJX-UHFFFAOYSA-N
【SMILES】
CC(C)C1(C(=O)OC(=N1)c2cccc(c2)Cl)C
【MOL File】
2-(3-CHLOROPHENYL)-4….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(3-CHLOROPHENYL)-4-METHYL-4-(1-METHYLETHYL)-5(4H)-OXAZOLONE.cml