AG000PUA

1199-02-6 | 1,3,4-OXADIAZOL-2(3H)-ONE, 5-PHENYL-

AG000PUA

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CAS Number	1199-02-6
Catalog Number	AG000PUA(AGN-PC-0JQA6K)
Chemical Name	1,3,4-OXADIAZOL-2(3H)-ONE, 5-PHENYL-
IUPAC Name	5-phenyl-3H-1,3,4-oxadiazol-2-one
InChI	InChI=1S/C8H6N2O2/c11-8-10-9-7(12-8)6-4-2-1-3-5-6/h1-5H,(H,10,11)
InChI Key	RFJQGIYJJLWZJP-UHFFFAOYSA-N
MDL Number	MFCD05023177
Molecular Formula	C8H6N2O2
Molecular Weight	162.1454
NSC Number	525342
SMILES	O=C1OC(C2=CC=CC=C2)=NN1
Synonyms	5-phenyl-1,3,4-oxadiazol-2-ol, 1199-02-6, 5-Phenyl-1,3,4-oxadiazol-2(3H)-one, 5-phenyl-3H-1,3,4-oxadiazol-2-one, 1,3,4-Oxadiazol-2(3H)-one, 5-phenyl-, CHEMBL554820, RFJQGIYJJLWZJP-UHFFFAOYSA-N, 5-phenyl-[1,3,4]oxadiazol-2-ol, 5-phenyl-2,3-dihydro-1,3,4-oxadiazol-2-one, phenyloxadiazolol, NSC525342, AC1L6ZY8, AC1Q79CK, ARONIS006690, SCHEMBL4523089, CTK8A0900, HMS1654I15, 5-phenyl-1,3,4-oxadiazol-2-one, KS-000027IR, 0812AD, 2-phenyl-1,3,4-oxadiazolin-5-one, BDBM50427208, MFCD05023177, ODC101337, STK177504, STK947988, ZINC18272321, 1,3,4-Oxadiazol-2-ol, 5-phenyl-, 2-Phenyl-5-Oxo-1,3,4-Oxadiazoline, AKOS000496188, AKOS003310144, LE-0723, MCULE-9528323048, NE30582, NSC-525342, RP10243, 1,4-Oxadiazol-2(3H)-one, 5-phenyl-, 2-Phenyl-1,3,4-oxadiazol-2-in-5-one, AJ-70538, TC-070065, 5-Phenyl-1,3,4-oxadiazol-2(3H)-one #, ST45043454, 1,3,4-OXADIAZOLINE,2-ONE,5-PHENYL, 5-Phenyl-1,3,4-oxadiazol-2-ol, AldrichCPR, EN300-31312, Y-9868, AB00675655-01, .DELTA.2-1,3,4-Oxadiazolin-5-one, 2-phenyl-, .delta.(sup 2)-1,4-Oxadiazolin-5-one, 2-phenyl-, 2-Phenyl-.delta.(sup 2)-1,3,4-oxadiazolin-5-one, J-517910, .delta.(sup 2)-1,3,4-Oxadiazolin-5-one, 2-phenyl-, F1685-0062, InChI=1/C8H6N2O2/c11-8-10-9-7(12-8)6-4-2-1-3-5-6/h1-5H,(H,10,11, C8H6N2O2, C8-H6-N2-O2, CID352208, NSC 525342, 2-Phenyl-delta(sup 2)-1,3,4-oxadiazolin-5-one, 2-(4-methylphenyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazole, 2-(2-methoxyphenyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazole, delta(sup 2)-1,3,4-OXADIAZOLIN-5-ONE, 2-PHENYL-,

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	6.1
Hazard statements	H302
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

Lot Number