AG0001QJ

100367-77-9 | 4-Thiazolecarboxylic acid, 2-bromo-, ethyl ester

AG0001QJ

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CAS Number	100367-77-9
Catalog Number	AG0001QJ(AGN-PC-0JQB72)
Chemical Name	4-Thiazolecarboxylic acid, 2-bromo-, ethyl ester
IUPAC Name	ethyl 2-bromo-1,3-thiazole-4-carboxylate
InChI	InChI=1S/C6H6BrNO2S/c1-2-10-5(9)4-3-11-6(7)8-4/h3H,2H2,1H3
InChI Key	CNHISCQPKKGDPO-UHFFFAOYSA-N
MDL Number	MFCD03788564
Molecular Formula	C6H6BrNO2S
Molecular Weight	236.0863
NSC Number	603614
SMILES	BrC=1SC=C(N1)C(=O)OCC
Synonyms	Ethyl 2-bromothiazole-4-carboxylate, 100367-77-9, ethyl 2-bromo-1,3-thiazole-4-carboxylate, 2-Bromothiazole-4-carboxylic acid ethyl ester, 4-Thiazolecarboxylic acid, 2-bromo-, ethyl ester, Ethyl2-bromothiazole-4-carboxylate, MFCD03788564, 2-Bromo-thiazole-4-carboxylic acid ethyl ester, 2-Bromo-4-(ethoxycarbonyl)-1,3-thiazole, ETHYL 2-BROMO-4-THIAZOLECARBOXYLATE, Ethyl 2-bromothiazole-4-carboxylate, 96%, NSC603614, zlchem 490, PubChem17466, ETHYL-2-BROMOTHIAZOLE-4-CARBOXYLATE, AC1L73DS, AC1Q64MA, KSC175A1R, SCHEMBL285573, ACMC-1C994, 2-bromo-4-ethoxycarbonylthiazole, CTK0H5018, DTXSID70326608, ZLC0355, CNHISCQPKKGDPO-UHFFFAOYSA-N, ACT02316, ALBB-014309, BCP07052, KS-00000BD6, ZINC1608352, ANW-14257, BBL101997, CE-603, Ethyl 2-broMo-thiazol-4-carboxylate, SBB053905, STL555794, WT1322, AKOS005174273, AB16046, AC-7167, AN-9246, CM14203, CS-W009137, E2133G1, GF-0027, MCULE-7537641571, NSC-603614, RP05705, RTR-000148, TRA0068133, AJ-28175, AK-23893, BC004247, BR-23893, CJ-05740, CJ-25951, SC-22753, SY004498, AB0003060, AB1000131, DB-031422, TR-000148, 4CH-007269, AM20070644, E0900, FT-0082067, FT-0601911, ST24030502, X8499, Z6262, 2-bromo-4-thiazolecarboxylic acid ethyl ester, MFCD03788564 (96%), A-2622, 69885-EP2308510A1, 118497-EP2275404A1, 118497-EP2298767A1, 367E779, AE-848/06060034, 100367-77-9 Ethyl 2-bromothiazole-4-carboxylate, I14-1201, W-204370, W-204371, 2-BROMO-1,3-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER, null, C6H6BrNO2S, CID353965, ACN-027179, C2566, A16179, Ethyl 2-bromothiazole-4-carboxylate, 97% - 1G 1g, 1-(2,4-Dimethylphenyl)-3-phenyl-1H-pyrazole-5(4H)-one,

Complexity	156
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	234.93g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	236.083g/mol
Monoisotopic Mass	234.93g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	67.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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