AG000PUC

1199-00-4 | 1,2,4-Oxadiazole, 3-methyl-5-phenyl-

AG000PUC

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CAS Number	1199-00-4
Catalog Number	AG000PUC(AGN-PC-0JMP6E)
Chemical Name	1,2,4-Oxadiazole, 3-methyl-5-phenyl-
IUPAC Name	3-methyl-5-phenyl-1,2,4-oxadiazole
InChI	InChI=1S/C9H8N2O/c1-7-10-9(12-11-7)8-5-3-2-4-6-8/h2-6H,1H3
InChI Key	ZTWRWSTUMWZTAU-UHFFFAOYSA-N
MDL Number	MFCD00464109
Molecular Formula	C9H8N2O
Molecular Weight	160.1726
SMILES	CC1=NOC(=N1)C1=CC=CC=C1
Synonyms	3-Methyl-5-phenyl-1,2,4-oxadiazole, 1199-00-4, 1,2,4-Oxadiazole, 3-methyl-5-phenyl-, 3-Methyl-5-phenyl-[1,2,4]oxadiazole, ZTWRWSTUMWZTAU-UHFFFAOYSA-N, BAS 00512420, AC1L39LZ, SCHEMBL806849, CTK4B1540, DTXSID80152612, ZINC314780, 3-methyl-5-phenyl-1,2,4-oxdiazol, 3449AA, MFCD00464109, SBB087430, AKOS000560078, 5-Phenyl-3-methyl-1,2,4-oxadiazole, 1,2,4-Oxadiazole,3-methyl-5-phenyl-, 3-Methyl-5-phenyl-1,2,4-oxadiazole #, AJ-19185, AS-41477, SC-16081, C9H8N2O, CID136937,

Complexity	146
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	160.064g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	160.176g/mol
Monoisotopic Mass	160.064g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	38.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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