AG00IAXB

61830-21-5 | 4-Thiazolecarboxylic acid, 2-amino-5-bromo-, ethyl ester

AG00IAXB

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CAS Number	61830-21-5
Catalog Number	AG00IAXB(AGN-PC-0K32A3)
Chemical Name	4-Thiazolecarboxylic acid, 2-amino-5-bromo-, ethyl ester
IUPAC Name	ethyl 2-amino-5-bromo-1,3-thiazole-4-carboxylate
InChI	InChI=1S/C6H7BrN2O2S/c1-2-11-5(10)3-4(7)12-6(8)9-3/h2H2,1H3,(H2,8,9)
InChI Key	TWGNDRMYYDZGFI-UHFFFAOYSA-N
MDL Number	MFCD06669909
Molecular Formula	C6H7BrN2O2S
Molecular Weight	251.1010
SMILES	NC1=NC(=C(S1)Br)C(=O)OCC
Synonyms	ethyl 2-amino-5-bromothiazole-4-carboxylate, 61830-21-5, ethyl 2-amino-5-bromo-1,3-thiazole-4-carboxylate, 2-Amino-5-Bromothiazole-4-Carboxylic Acid Ethyl Ester, Ethyl 2-amino-5-bromo-4-thiazolecarboxylate, 2-amino-5-bromo-thiazole-4-carboxylic acid ethyl ester, 4-thiazolecarboxylic acid, 2-amino-5-bromo-, ethyl ester, ethyl 2-amino-5-bromothiazole-4-carboxylic acid, 2-Amino-5-bromo-4-(ethoxycarbonyl)-1,3-thiazole, AC1LPBHL, PubChem15964, ACMC-209mwk, Ethyl2-amino-5-bromo-4-thiazolecarboxylate, KSC613Q0B, SCHEMBL960280, CTK5B3800, KS-00000KNU, DTXSID80361641, ABLOCK AB-11-7040, TWGNDRMYYDZGFI-UHFFFAOYSA-N, ACT08471, EBD34422, ZINC1104931, ANW-33954, CE-270, MFCD06669909, SBB053904, AKOS005207373, AC-7296, AN-9178, PS-4539, RP06144, AJ-25059, AK-23889, BC004061, BR-23889, CJ-04781, L181, SY005537, AB0007032, AB1000504, ST2412915, TR-021264, 4CH-013563, A8559, AM20100513, CS-0019254, FT-0647872, ethyl 2-amino-5-bromo-thiazole-4-carboxylate, MFCD06669909 (95%), M-1594, 830A215, I09-1288, I09-1829, W-203310, 4-ETHYL 2-AMINO-5-BROMOTHIAZOLE-4-CARBOXYLATE, 4-Thiazolecarboxylicacid, 2-amino-5-bromo-, ethyl ester, null, C6H7BrN2O2S, ZINC01104931, Methyl 2-chloro-4-thiazolecarboxylate, ACN-051570, CB10920, CID1284665, 850429-61-7,

Complexity	181
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	249.941g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	251.098g/mol
Monoisotopic Mass	249.941g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	93.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

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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