54041-98-4
5-CHLORO-2-(3-HYDROXYMETHYL-4H-1,2,4-TRIAZOL-4-YL)BENZOPHENONE
Name5-CHLORO-2-(3-HYDROXYMETHYL-4H-1,2,4-TRIAZOL-4-YL)BENZOPHENONE
1Identification
【Name】
5-CHLORO-2-(3-HYDROXYMETHYL-4H-1,2,4-TRIAZOL-4-YL)BENZOPHENONE
【CAS】
【MDL】
MFCD09743866
【English Synonyms】
【Formula】
C16 H12 Cl N3 O2
【MolWeight】
313.743
【Inchi】
InChI=1S/C16H12ClN3O2/c17-12-6-7-14(20-10-18-19-15(20)9-21)13(8-12)16(22)11-4-2-1-3-5-11/h1-8,10,21H,9H2
【InChIKey】
InChIKey=USIICBYEJKAHSY-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)C(=O)c2cc(ccc2n3cnnc3CO)Cl
【MOL File】
5-CHLORO-2-(3-HYDROX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-CHLORO-2-(3-HYDROXYMETHYL-4H-1,2,4-TRIAZOL-4-YL)BENZOPHENONE.cml