55807-85-7
1-(5-(TERT-BUTYL)ISOXAZOL-3-YL)-3-(4-CHLOROPHENYL)UREA
Name1-(5-(TERT-BUTYL)ISOXAZOL-3-YL)-3-(4-CHLOROPHENYL)UREA
1Identification
【Name】
1-(5-(TERT-BUTYL)ISOXAZOL-3-YL)-3-(4-CHLOROPHENYL)UREA
【CAS】
【MDL】
MFCD06055812
【English Synonyms】
【Formula】
C14 H16 Cl N3 O2
【MolWeight】
293.752
【Inchi】
InChI=1S/C14H16ClN3O2/c1-14(2,3)11-8-12(18-20-11)17-13(19)16-10-6-4-9(15)5-7-10/h4-8H,1-3H3,(H2,16,17,18,19)
【InChIKey】
InChIKey=YKEKTHFXOCGZLG-UHFFFAOYSA-N
【SMILES】
CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)Cl
【MOL File】
1-(5-(TERT-BUTYL)ISO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
1-(5-(TERT-BUTYL)ISOXAZOL-3-YL)-3-(4-CHLOROPHENYL)UREA.cml