AG000SL9

1263279-50-0 | 5-bromo-3-phenyl-1,2,4-oxadiazole

AG000SL9

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CAS Number	1263279-50-0
Catalog Number	AG000SL9(AGN-PC-080G66)
Chemical Name	5-bromo-3-phenyl-1,2,4-oxadiazole
IUPAC Name	5-bromo-3-phenyl-1,2,4-oxadiazole
InChI	InChI=1S/C8H5BrN2O/c9-8-10-7(11-12-8)6-4-2-1-3-5-6/h1-5H
InChI Key	YIZUZAUECBVCII-UHFFFAOYSA-N
MDL Number	MFCD17677037
Molecular Formula	C8H5BrN2O
Molecular Weight	225.0421
SMILES	BrC1ON=C(C2=CC=CC=C2)N=1
Synonyms	5-bromo-3-phenyl-1,2,4-oxadiazole, 1263279-50-0, SCHEMBL1949786, KS-00000OFC, DTXSID70677541, CB0142, MFCD17677037, ZINC66347891, 3-Phenyl-5-bromo-1,2,4-oxadiazole, AKOS015902242, CS-W006674, MP-1894, 1,2,4-Oxadiazole, 5-bromo-3-phenyl-, AK-42004, DS-14005, SC-53031, AJ-116413, TC-072304, 4CH-010148, ST24029393, Z4057, J3.617.250I, Q-103468, I14-13090, C8H5BrN2O, ACN-039217, 5-Bromo-3-phenyl-[1,2,4]oxadiazole, 23432-94-2,

Complexity	150
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	223.959g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	225.045g/mol
Monoisotopic Mass	223.959g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	38.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number