AG0015AM

121562-13-8 | 1,2,4-Oxadiazole, 3-bromo-5-(bromomethyl)-

AG0015AM

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CAS Number	121562-13-8
Catalog Number	AG0015AM(AGN-PC-03DMXF)
Chemical Name	1,2,4-Oxadiazole, 3-bromo-5-(bromomethyl)-
IUPAC Name	3-bromo-5-(bromomethyl)-1,2,4-oxadiazole
InChI	InChI=1S/C3H2Br2N2O/c4-1-2-6-3(5)7-8-2/h1H2
InChI Key	TWKMZSDPRBTXPI-UHFFFAOYSA-N
MDL Number	MFCD06795879
Molecular Formula	C3H2Br2N2O
Molecular Weight	241.8688
SMILES	BrCC1=NC(Br)=NO1
Synonyms	3-Bromo-5-(bromomethyl)-1,2,4-oxadiazole, 121562-13-8, 3-BROMO-5-BROMOMETHYL-[1,2,4]OXADIAZOLE, 1,2,4-Oxadiazole,3-bromo-5-(bromomethyl)-, ACMC-1CHXJ, SCHEMBL19274479, CTK4B2529, TWKMZSDPRBTXPI-UHFFFAOYSA-, DTXSID40616220, 3933AA, MFCD06795879, ZINC85210728, AKOS016010342, NE24766, SC-82985, AJ-126792, ST2404949, 1,2,4-Oxadiazole, 3-bromo-5-(bromomethyl)-, F8888-5729, InChI=1/C3H2Br2N2O/c4-1-2-6-3(5)7-8-2/h1H2, C3H2Br2N2O,

Complexity	81.7
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	241.851g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	241.87g/mol
Monoisotopic Mass	239.853g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	38.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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