AG003HNF

117724-63-7 | 2-Methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid

AG003HNF

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CAS Number	117724-63-7
Catalog Number	AG003HNF(AGN-PC-0K5WV3)
Chemical Name	2-Methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
IUPAC Name	2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
InChI	InChI=1S/C6H4F3NO2S/c1-2-10-4(6(7,8)9)3(13-2)5(11)12/h1H3,(H,11,12)
InChI Key	REKJPVUFKQYMHW-UHFFFAOYSA-N
MDL Number	MFCD00173295
Molecular Formula	C6H4F3NO2S
Molecular Weight	211.1617
SMILES	CC1=NC(=C(S1)C(O)=O)C(F)(F)F
Synonyms	117724-63-7, 2-Methyl-4-(trifluoromethyl)thiazole-5-carboxylic acid, 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic Acid, 2-methyl-4-trifluoromethylthiazole-5-carboxylic acid, 2-Methyl-4-trifluoromethyl-thiazole-5-carboxylic acid, 5-Thiazolecarboxylicacid, 2-methyl-4-(trifluoromethyl)-, 5-Thiazolecarboxylic acid, 2-methyl-4-(trifluoromethyl)-, REKJPVUFKQYMHW-UHFFFAOYSA-N, PubChem11380, ACMC-209yjt, AC1LSD6B, AC1Q2OPW, SCHEMBL975710, CTK0H0509, KS-00000CPA, DTXSID20363346, BCP14615, ZINC3884325, ANW-49047, MFCD00173295, SBB094458, AKOS005071191, CS-W002467, LS41138, MCULE-2488807586, QC-1331, RP12269, RTR-003115, TRA0007793, methyltrifluoromethylthiazolecarboxylicacid, AC-25694, AJ-47079, AK-47755, BR-47755, SC-45325, SY014785, AB0002099, DB-000619, ST2410127, TR-003115, 4CH-009247, AM20080117, FT-0697380, X7125, 8F-015, A24510, C-1174, MFCD00173295 (97+%), J-509975, 2-Methyl-4-(trifluoromethyl)thiazole-5-carboxylicAcid, 5-Carboxy-2-methyl-4-(trifluoromethyl)-1,3-thiazole, I14-11574, 5-Thiazolecarboxylicacid,2-methyl-4-(trifluoromethyl)-, 2-METHYL-4-(TRIFLUOROMETHYL)-1,3-THIAZOLE-5-CARBOX, 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid, AldrichCPR, C6H4F3NO2S, ACN-S002066, CID1486080, 3-(ethoxycarbonyl)-4,4-diphenylbut-3-enoic acid,

Complexity	220
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	210.991g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	211.158g/mol
Monoisotopic Mass	210.991g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	78.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

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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