AG007EW3

345637-71-0 | 2-(5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetic acid

AG007EW3

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CAS Number	345637-71-0
Catalog Number	AG007EW3(AGN-PC-0JTI6V)
Chemical Name	2-(5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetic acid
IUPAC Name	2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid
InChI	InChI=1S/C7H7F3N2O2/c1-4-2-5(7(8,9)10)11-12(4)3-6(13)14/h2H,3H2,1H3,(H,13,14)
InChI Key	RBHQAIFXLJIFFM-UHFFFAOYSA-N
MDL Number	MFCD00297315
Molecular Formula	C7H7F3N2O2
Molecular Weight	208.1379
SMILES	O=C(O)CN1N=C(C(F)(F)F)C=C1C
Synonyms	345637-71-0, 2-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetic acid, (5-Methyl-3-trifluoromethyl-pyrazol-1-yl)-acetic acid, 2-[5-Methyl-3-(Trifluoromethyl)-1H-Pyrazol-1-Yl]Acetic Acid, [5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid, 2-(3-(Trifluoromethyl)-5-methyl-1H-pyrazol-1-yl)acetic acid, 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid, RBHQAIFXLJIFFM-UHFFFAOYSA-N, (5-Methyl-3-Trifluoromethyl-Pyrazol-1-Yl)-AceticAcid, 1H-Pyrazole-1-acetic acid, 5-methyl-3-(trifluoromethyl)-, 2-[3-(Trifluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetic acid, 2-[5-methyl-3-(trifluoromethyl)pyrazolyl]acetic acid, (5-methyl-3-(trifluoromethyl)-1h-pyrazol-1-yl)acetic acid, BAS 14279436, ChemDiv3_014142, AC1LC8B7, AC1Q2H9K, SCHEMBL30417, CTK1C0740, IN-WR-791, DTXSID90344349, HMS1513C18, ZINC265755, ALBB-009760, KS-00000LJ7, ANW-61326, CT-122, MFCD00297315, SBB018087, STK348656, AKOS000301751, CCG-202861, FS-1386, MCULE-8904219847, RP04670, RTC-072136, IDI1_029940, AJ-18575, AK-48171, AB0038044, DB-032397, TC-072136, A6079, BB 0259315, EU-0099906, FT-0716731, ST45142856, Y5390, EN300-83477, C-1218, SR-01000596958, (5-methyl-3-trifluoromethylpyrazol-1-yl)acetic acid, J-505712, SR-01000596958-1, (5-methyl-3-trifluoromethyl-pyrazol-1-yl)acetic acid, BRD-K28220557-001-02-0, I14-12887, 5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-acetic acid, 5-methyl-3-(trifluoromethyl)-1H-pyrazole-1-acetic acid, F0850-6536, Z275146374, 1H-Pyrazole-1-aceticacid, 5-methyl-3-(trifluoromethyl)-, Acetic acid, 2-(3-trifluoromethyl-5-methyl-1-pyrazolyl)-, [5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid #, (5-methyl-3-trifluoromethyl-pyrazol-1-yl)-acetic acid, AldrichCPR, C7H7F3N2O2, CID596118, 2-(5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)aceticacid, 2-(3-(trifluoromethyl)-5-methyl-1H-pyrazol-1-yl)acetic acid, 95% - 1G 1g,

Complexity	232
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	208.046g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	208.14g/mol
Monoisotopic Mass	208.046g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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