747411-07-0
2-CHLORO-1-[2,5-DIMETHYL-1-(5-METHYL-1,2-OXAZOL-3-YL)-1H-PYRROL-3-YL]ETHAN-1-ONE
Name2-CHLORO-1-[2,5-DIMETHYL-1-(5-METHYL-1,2-OXAZOL-3-YL)-1H-PYRROL-3-YL]ETHAN-1-ONE
1Identification
【Name】
2-CHLORO-1-[2,5-DIMETHYL-1-(5-METHYL-1,2-OXAZOL-3-YL)-1H-PYRROL-3-YL]ETHAN-1-ONE
【CAS】
【MDL】
MFCD05270851
【English Synonyms】
【Formula】
C12 H13 Cl N2 O2
【MolWeight】
252.7
【Inchi】
InChI=1S/C12H13ClN2O2/c1-7-4-10(11(16)6-13)9(3)15(7)12-5-8(2)17-14-12/h4-5H,6H2,1-3H3
【InChIKey】
InChIKey=AQWWIOJBPOBUDQ-UHFFFAOYSA-N
【SMILES】
Cc1cc(c(n1c2cc(on2)C)C)C(=O)CCl
【MOL File】
2-CHLORO-1-[2,5-DIME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-CHLORO-1-[2,5-DIMETHYL-1-(5-METHYL-1,2-OXAZOL-3-YL)-1H-PYRROL-3-YL]ETHAN-1-ONE.cml