AG000YBT

128694-63-3 | 1H-Pyrazole-5-carboxylic acid, 1-methyl-3-(trifluoromethyl)-

AG000YBT

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CAS Number	128694-63-3
Catalog Number	AG000YBT(AGN-PC-0JTOO8)
Chemical Name	1H-Pyrazole-5-carboxylic acid, 1-methyl-3-(trifluoromethyl)-
IUPAC Name	2-methyl-5-(trifluoromethyl)pyrazole-3-carboxylic acid
InChI	InChI=1S/C6H5F3N2O2/c1-11-3(5(12)13)2-4(10-11)6(7,8)9/h2H,1H3,(H,12,13)
InChI Key	AQUQLOWJSBFHBD-UHFFFAOYSA-N
MDL Number	MFCD02090853
Molecular Formula	C6H5F3N2O2
Molecular Weight	194.1113
SMILES	OC(=O)c1cc(nn1C)C(F)(F)F
Synonyms	128694-63-3, 1-Methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid, 2-Methyl-5-trifluoromethyl-2H-pyrazole-3-carboxylic acid, AQUQLOWJSBFHBD-UHFFFAOYSA-N, 1h-pyrazole-5-carboxylic acid, 1-methyl-3-(trifluoromethyl)-, 2-methyl-5-(trifluoromethyl)pyrazole-3-carboxylic acid, 1-Methyl-3-trifluoromethyl-1H-pyrazole-5-carboxylic acid, 2-METHYL-5-TRIFLUOROMETHYL-2H-PYRAZOLE-3-CARBOXYLICACID, 1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid, ZERO/005391, AC1LCTO6, ACMC-20a66u, TimTec1_003188, SCHEMBL17920, MLS000850704, CHEMBL1709018, CTK4B6035, DTXSID20345708, HMS1543A20, HMS2806B13, ALBB-008645, BCP21958, KS-00000N5T, ZINC1042939, ANW-58948, BBL016088, GEO-04062, MFCD02090853, SBB000321, STK315878, AKOS000304107, CS-W007107, FS-1389, MCULE-5292500911, RTR-004018, AJ-24777, AK-55974, SC-72688, SMR000456721, ST044229, AB0138444, DB-062653, BB 0260355, EU-0083300, FT-0656281, ST24038099, Z2320, EN300-83484, M80046, W-9080, 1-Methyl-3-trifluoromethylpyrazole-5-carboxylic acid, I14-7620, F0918-5579, Z275169884, 1-Methyl-3-(trifluoromethy)-2H-pyrazole-5-caboxylic Acid, 1-methyl-3-(trifluoromethyl)-2h-pyrazole-5-carboxylic acid, 2-METHYL-5-TRIFLUOROMETHYL-2H-PYRAZOLE-3-CARBOXYLI, Pyrazole-5-carboxylic acid, 3-trifluorromethyl-1-methyl-, 1-Methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid #, 2-Methyl-5-trifluoromethyl-2H-pyrazole-3-carboxylic acid, AldrichCPR, C6H5F3N2O2, CID606540, ACN-046680, 2-Methyl-5-trifluoromethyl-2H-pyrazole-3-carboxylic acid, 97% - 1G 1g, (2-METHYL-3,5-DIOXO-4-AZATRICYCLO[5.2.1.0~2,6~]DEC-8-EN-4-YL)ACETIC ACID,

Complexity	218
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	194.03g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	194.113g/mol
Monoisotopic Mass	194.03g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	55.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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