AG008IU4

825-56-9 | 2-Phenyl-1,3,4-oxadiazole

AG008IU4

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CAS Number	825-56-9
Catalog Number	AG008IU4(AGN-PC-0JKB1O)
Chemical Name	2-Phenyl-1,3,4-oxadiazole
IUPAC Name	2-phenyl-1,3,4-oxadiazole
InChI	InChI=1S/C8H6N2O/c1-2-4-7(5-3-1)8-10-9-6-11-8/h1-6H
InChI Key	ZEOMRHKTIYBETG-UHFFFAOYSA-N
MDL Number	MFCD00491613
Molecular Formula	C8H6N2O
Molecular Weight	146.1460
NSC Number	94884
SMILES	C1(C2=CC=CC=C2)=NN=CO1
Synonyms	2-Phenyl-1,3,4-oxadiazole, 825-56-9, 1,3,4-OXADIAZOLE, 2-PHENYL-, 2-Phenyl-[1,3,4]oxadiazole, NSC 94884, 2-Fenil-1,3,4-ossadiazolo [Italian], BRN 0118804, EC-000.1752, 2-Fenil-1,3,4-ossadiazolo, NSC94884, AC1Q6ZNZ, SCHEMBL9555, 4-27-00-07140 (Beilstein Handbook Reference), C11H9IN2O, 1,4-Oxadiazole, 2-phenyl-, 5-phenyl-1,3,4-oxadiazole, 2-phenyl-[1.3.4]oxadiazole, AC1L21A9, CHEMBL2269004, 2-phenyl-[1,3,4]-oxadiazole, 2-phenyl-[1.3.4]-oxadiazole, CTK3E8511, DTXSID80231799, ZEOMRHKTIYBETG-UHFFFAOYSA-N, ZINC529072, ALBB-032085, BCP27494, 0197AF, 0198AF, 2762AC, 2763AC, 2764AC, ANW-53074, MFCD00491613, NSC-94884, ODZ101337, STK408136, AKOS002300438, 2 - Phenyl - 1,3,4 - oxadiazole, ACN-051115, MCULE-8118519445, NE26555, AJ-23340, LS-99168, SC-28134, ZB014314, AB1010314, DB-025924, ST2417153, TC-061789, AM20041210, BB 0238235, FT-0691831, ST50793844, EN300-44953, I14-10418, 2-phenyloxadiazole, C8H6N2O, C9H19NO2, C11H17N3O, C7H13N3, C8-H6-N2-O, CID13217, 2-benzyl-5-iodopyridazin-3(2H)-one, 5-(tert-Butyl)-1H-imidazol-2-amine, 4-(morpholinomethyl)benzene-1,2-diamine, ETHYL 3-(SEC-BUTYLAMINO)PROPANOATE, A15828, 82560-19-8, 82560-60-9, 825619-02-1, 825633-93-0,

Complexity	123
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	146.048g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	146.149g/mol
Monoisotopic Mass	146.048g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	38.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code	\N

Certificate of Analysis

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