AG008657

1030613-07-0 | Ethyl 5-bromo-1,3,4-thiadiazole-2-carboxylate

AG008657

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CAS Number	1030613-07-0
Catalog Number	AG008657(AGN-PC-09MQTH)
Chemical Name	Ethyl 5-bromo-1,3,4-thiadiazole-2-carboxylate
IUPAC Name	ethyl 5-bromo-1,3,4-thiadiazole-2-carboxylate
InChI	InChI=1S/C5H5BrN2O2S/c1-2-10-4(9)3-7-8-5(6)11-3/h2H2,1H3
InChI Key	KDZLTNORBKZJKE-UHFFFAOYSA-N
MDL Number	MFCD12165919
Molecular Formula	C5H5BrN2O2S
Molecular Weight	237.0744
SMILES	O=C(C1=NN=C(Br)S1)OCC
Synonyms	Ethyl 5-bromo-1,3,4-thiadiazole-2-carboxylate, 1030613-07-0, C5H5BrN2O2S, AK-37965, 5-bromo-[1,3,4]thiadiazole-2-carboxylic acid ethyl ester, SCHEMBL299130, CTK8B4347, KS-00000HTB, DTXSID50680977, KDZLTNORBKZJKE-UHFFFAOYSA-N, ACN-P001176, BCP11601, ANW-44777, MFCD12165919, STL451603, ZINC64033759, AKOS015999160, AB65358, ACN-001176, CS-W008856, FCH1342655, MCULE-5325231645, MP-1299, OR43656, QC-5312, RP28264, CJ-20977, TS-00677, AB0056186, AJ-114667, AX8161137, TX-017594, 4CH-008651, ST24030639, Z3818, Ethyl5-bromo-1,3,4-thiadiazole-2-carboxylate, J-521111, 1,3,4-THIADIAZOLE-2-CARBOXYLIC ACID, 5-BROMO-, ETHYL ESTER, 1,3,4-Thiadiazole-2-carboxylicacid,5-bromo-,ethylester,

Complexity	157
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	235.926g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	237.071g/mol
Monoisotopic Mass	235.926g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	80.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

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

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