AG000Y3R

128455-63-0 | 5-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid

AG000Y3R

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CAS Number	128455-63-0
Catalog Number	AG000Y3R(AGN-PC-0KKVPB)
Chemical Name	5-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
IUPAC Name	5-chloro-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid
InChI	InChI=1S/C6H4ClF3N2O2/c1-12-4(7)2(5(13)14)3(11-12)6(8,9)10/h1H3,(H,13,14)
InChI Key	IKGVBNQPAJOSFP-UHFFFAOYSA-N
MDL Number	MFCD00215443
Molecular Formula	C6H4ClF3N2O2
Molecular Weight	228.5564
SMILES	CN1C(Cl)=C(C(O)=O)C(C(F)(F)F)=N1
Synonyms	128455-63-0, 5-Chloro-1-Methyl-3-(Trifluoromethyl)-1H-Pyrazole-4-Carboxylic Acid, 5-chloro-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylic Acid, 1H-Pyrazole-4-carboxylicacid, 5-chloro-1-methyl-3-(trifluoromethyl)-, 5-chloro-1-methyl-3-trifluoromethyl-1h-pyrazole-4-carboxylic acid, IKGVBNQPAJOSFP-UHFFFAOYSA-N, AC1MCNHK, PubChem16959, ACMC-1C8GV, C6H4ClF3N2O2, SCHEMBL841261, AC1Q405O, CTK0I0119, DTXSID30378724, KS-00000F3Q, ZINC2558767, 5423AA, ANW-55835, MFCD00215443, SBB053198, AKOS005070011, 2F-374S, MCULE-5173268169, RP13166, RTR-004008, AC-27624, AJ-40188, SC-48223, AB0002067, TR-004008, CS-0084727, FT-0620215, ST24044581, C-1191, chloromethyltrifluoromethylpyrazolecarboxylicacid, I11-0569, J-005604, J-517266, 4-Carboxy-5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole, 5-chloro-1-methyl-3-trifluoromethylpyrazol-4-carboxylic acid, 5-chloro-1-methyl-3-trifluoromethylpyrazole-4-carboxylic acid, 1H-Pyrazole-4-carboxylic acid, 5-chloro-1-methyl-3-(trifluoromethyl)-, 5-Chloro-3-(trifluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid, 5-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid, AldrichCPR, CID2773806, 5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-,

Complexity	248
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	227.991g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	228.555g/mol
Monoisotopic Mass	227.991g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	55.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

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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