AG003GOQ

40003-41-6 | 2-Bromo-4-methylthiazole-5-carboxylic acid

AG003GOQ

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CAS Number	40003-41-6
Catalog Number	AG003GOQ(AGN-PC-0KLR3I)
Chemical Name	2-Bromo-4-methylthiazole-5-carboxylic acid
IUPAC Name	2-bromo-4-methyl-1,3-thiazole-5-carboxylic acid
InChI	InChI=1S/C5H4BrNO2S/c1-2-3(4(8)9)10-5(6)7-2/h1H3,(H,8,9)
InChI Key	HMSQZHBSTZZNGI-UHFFFAOYSA-N
MDL Number	MFCD03822128
Molecular Formula	C5H4BrNO2S
Molecular Weight	222.0598
SMILES	C(=O)(O)c1sc(nc1C)Br
Synonyms	2-Bromo-4-methylthiazole-5-carboxylic acid, 40003-41-6, 2-bromo-4-methyl-1,3-thiazole-5-carboxylic acid, 2-Bromo-4-methyl-thiazole-5-carboxylic acid, 2-Bromo-4-methylthiazol-5-carboxylic acid, 5-Thiazolecarboxylic acid, 2-bromo-4-methyl-, Maybridge3_004237, PubChem23205, ACMC-209x4s, AC1ME7Q2, SCHEMBL241856, CTK1D5030, KS-00000MVW, DTXSID10384969, HMSQZHBSTZZNGI-UHFFFAOYSA-N, HMS1443A13, ZINC161954, ANW-47210, BBL101097, CCG-50803, GEO-02509, MFCD03822128, SBB079301, STL554891, AKOS005257021, AC-9352, AN-7087, CS-W008454, MCULE-3932114661, TRA0046267, IDI1_015624, AJ-15841, AK-30367, AS-18343, BC004892, BR-30367, SC-44005, 2-bromo-4-methyl-5-thiazolecarboxylic acid, AB0024720, ST2416571, TC-135955, 2-bromo-4-methyl-5-thiazole carboxylic acid, 4CH-015033, AM20100058, B5336, FT-0611460, W6042, S-3007, 90426-EP2301929A1, 90426-EP2301935A1, 90426-EP2305674A1, 003B416, 2-Bromo-4-methylthiazole-5-carboxylic acid, 96%, A824844, 2-bromanyl-4-methyl-1,3-thiazole-5-carboxylic acid, 2-BROMO-4-METHYL THIAZOLE-4-CARBOXYLIC ACID, I09-1740, SR-01000640148-1, W-200348, Z1741978381, C5H4BrNO2S, CID2824058, 2-BROMO-4-METHYL-1,3-THIAZOLE-5-CARBOXYLICACID,

Complexity	155
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	220.915g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	222.056g/mol
Monoisotopic Mass	220.915g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	78.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317
Packing Group
Precautionary statements	P261-P280
Signal Words	warning
UN Code

Certificate of Analysis

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