AG001D7W

1456-22-0 | 1,2,4-Oxadiazol-5(2H)-one, 3-phenyl-

AG001D7W

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CAS Number	1456-22-0
Catalog Number	AG001D7W(AGN-PC-0JLB7O)
Chemical Name	1,2,4-Oxadiazol-5(2H)-one, 3-phenyl-
EC Number	215-938-8
IUPAC Name	3-phenyl-4H-1,2,4-oxadiazol-5-one
InChI	InChI=1S/C8H6N2O2/c11-8-9-7(10-12-8)6-4-2-1-3-5-6/h1-5H,(H,9,10,11)
InChI Key	LMBDRBXGTCUBIH-UHFFFAOYSA-N
MDL Number	MFCD17676121
Molecular Formula	C8H6N2O2
Molecular Weight	162.1454
SMILES	OC1=NC(C2=CC=CC=C2)=NO1
Synonyms	3-phenyl-1,2,4-oxadiazolin-5-one, 3-phenyl-1,2,4-oxadiazol-5-ol, 1456-22-0, 3-Phenyl-1,2,4-oxadiazol-5(4H)-one, 1,2,4-Oxadiazol-5(4H)-one, 3-phenyl-, CHEMBL2324855, 3-phenyl-4,5-dihydro-1,2,4-oxadiazol-5-one, LMBDRBXGTCUBIH-UHFFFAOYSA-N, 3-Phenyl-[1,2,4]oxadiazol-5-ol, 3-phenyl-1,2,4-oxadiazolin-5-one, 3-phenyl-4H-[1,2,4]oxadiazol-5-one, EINECS 215-938-8, 3-phenyl-5-hydroxy-1,2,4-oxadiazole, 3-phenyl-2H-1,2,4-oxadiazol-5-one, AC1L2KKS, AC1Q6IO4, AC1Q6G37, SCHEMBL3743779, CTK4C4628, KS-00000OEV, DTXSID90163113, 3-phenyl-1,2,4-oxadiazol5-one, ALBB-017826, ZINC5934504, BBL029088, BDBM50427214, MFCD17676121, SBB019418, STK397453, 1,2,4-oxadiazol-5-ol, 3-phenyl-, AKOS005167347, AKOS015902121, 5-hydroxy-3-phenyl-1,2,4-oxadiazole, AS-5276, DS-2955, MCULE-3472838620, MP-0087, 3-phenyl-4H-1,2,4-oxadiazol-5-one, 3-phenyl-1,2,4-Oxadiazol-5(2H)-one, AJ-55252, AK-67990, 1,2,4-Oxadiazol-5(2H)-one,3-phenyl-, AB0003236, DB-063617, ST4148043, TC-069860, 1,2,4-Oxadiazol-5(2H)-one, 3-phenyl-, 4CH-010137, CS-0043875, FT-0721144, ST24028612, Y6060, EN300-55310, I14-12947, Z857667028, C8H6N2O2, C8-H6-N2-O2, CID73819, 3-phenyl-1,2,4-oxadiazol-5 -one, AR-1F4929, ACN-039218, 14786-04-0,

Complexity	219
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	162.043g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	162.148g/mol
Monoisotopic Mass	162.043g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	50.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number