AG00159J

121562-09-2 | 1,2,4-Oxadiazole-5-carboxylic acid, 3-bromo-, ethyl ester

AG00159J

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CAS Number	121562-09-2
Catalog Number	AG00159J(AGN-PC-03DMXD)
Chemical Name	1,2,4-Oxadiazole-5-carboxylic acid, 3-bromo-, ethyl ester
IUPAC Name	ethyl 3-bromo-1,2,4-oxadiazole-5-carboxylate
InChI	InChI=1S/C5H5BrN2O3/c1-2-10-4(9)3-7-5(6)8-11-3/h2H2,1H3
InChI Key	SVPHHQVOADRTJA-UHFFFAOYSA-N
MDL Number	MFCD06795880
Molecular Formula	C5H5BrN2O3
Molecular Weight	221.0088
SMILES	CCOC(=O)C1=NC(Br)=NO1
Synonyms	ethyl 3-bromo-1,2,4-oxadiazole-5-carboxylate, 121562-09-2, 3-BROMO-[1,2,4]OXADIAZOLE-5-CARBOXYLIC ACID ETHYL ESTER, 1,2,4-Oxadiazole-5-carboxylicacid, 3-bromo-, ethyl ester, 3-BROMO-1,2,4-OXADIAZOLE-5-CARBOXYLIC ACID ETHYL ESTER, 1,2,4-OXADIAZOLE-5-CARBOXYLIC ACID, 3-BROMO-, ETHYL ESTER, ACMC-1CCDQ, C5H5BrN2O3, SCHEMBL15284739, CTK4B2528, KS-00000NHT, SVPHHQVOADRTJA-UHFFFAOYSA-, DTXSID30616219, 3932AA, ANW-72089, MFCD06795880, ZINC66347716, AKOS015902120, AB29277, CS-W006912, AK-56104, DS-14930, AJ-116398, DB-061930, ST2412965, TC-072095, 4CH-016632, FT-0760229, ethyl3-bromo-1,2,4-oxadiazole-5-carboxylate, A25937, S14-1873, I14-12870, InChI=1/C5H5BrN2O3/c1-2-10-4(9)3-7-5(6)8-11-3/h2H2,1H3, ACN-045827,

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	1.7

GHS Hazard and Precautionary Statements

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

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