AG00H509

916889-45-7 | Ethyl 5-bromo-1,3,4-oxadiazole-2-carboxylate

AG00H509

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CAS Number	916889-45-7
Catalog Number	AG00H509(AGN-PC-0HY6IU)
Chemical Name	Ethyl 5-bromo-1,3,4-oxadiazole-2-carboxylate
IUPAC Name	ethyl 5-bromo-1,3,4-oxadiazole-2-carboxylate
InChI	InChI=1S/C5H5BrN2O3/c1-2-10-4(9)3-7-8-5(6)11-3/h2H2,1H3
InChI Key	PHHNZUKINCAFBC-UHFFFAOYSA-N
MDL Number	MFCD22415767
Molecular Formula	C5H5BrN2O3
Molecular Weight	221.0088
SMILES	O=C(C1=NN=C(Br)O1)OCC
Synonyms	ethyl 5-bromo-1,3,4-oxadiazole-2-carboxylate, 916889-45-7, SCHEMBL2944255, KS-00003SKN, PHHNZUKINCAFBC-UHFFFAOYSA-N, MFCD22415767, AKOS024153720, ZINC146337460, DA-01157, TS-00506, CS-0079627, FT-0730214, Ethyl 5-bromo-1,3,4-oxadizole-2-carboxylate, 1,3,4-Oxadiazole-2-carboxylic acid, 5-bromo-, ethyl ester,

Complexity	155
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	219.948g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	221.01g/mol
Monoisotopic Mass	219.948g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	65.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

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

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