AG000TOO

129768-28-1 | 1H-Pyrazole-3-carboxylic acid, 5-(trifluoromethyl)-

AG000TOO

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CAS Number	129768-28-1
Catalog Number	AG000TOO(AGN-PC-0L6ZBJ)
Chemical Name	1H-Pyrazole-3-carboxylic acid, 5-(trifluoromethyl)-
IUPAC Name	5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid
InChI	InChI=1S/C5H3F3N2O2/c6-5(7,8)3-1-2(4(11)12)9-10-3/h1H,(H,9,10)(H,11,12)
InChI Key	CIVNBJPTGRMGRS-UHFFFAOYSA-N
MDL Number	MFCD03094951
Molecular Formula	C5H3F3N2O2
Molecular Weight	180.0847
SMILES	FC(C1=CC(=NN1)C(=O)O)(F)F
Synonyms	129768-28-1, 5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid, 3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid, 5-Trifluoromethyl-1H-pyrazole-3-carboxylic acid, 5-Trifluoromethyl-2H-pyrazole-3-carboxylic acid, CIVNBJPTGRMGRS-UHFFFAOYSA-N, 1H-Pyrazole-3-carboxylic acid, 5-(trifluoromethyl)-, 3-(Trifluoromethyl)pyrazole-5-carboxylic Acid, 5-(trifluoromethyl)pyrazole-3-carboxylic acid, 3-Trifluoromethyl-1H-pyrazole-5-carboxylic acid, 1H-Pyrazole-3-carboxylicacid, 5-(trifluoromethyl)-, ZERO/005256, AC1N5ELS, AC1Q72XE, ACMC-20a846, SCHEMBL1498674, CTK0H0149, CTK7I5932, IN-E8S-72, 5-(TRIFLUOROMETHYL)-2H-PYRAZOLE-3-CARBOXYLIC ACID, DTXSID10400653, ALBB-005389, KS-00000DR0, ZINC5888997, ANW-61444, BBL016199, HTS028539, MFCD03094951, SBB013273, STK349145, AKOS000302228, AKOS000308403, AB13065, AM91689, KD-0237, MCULE-8040588526, RP10861, RTR-045780, AJ-70507, AK-41498, SY014176, 5-Trifluoromethylpyrazole-3-carboxylic acid, AB0070462, DB-028931, ST4113178, TC-150189, TR-045780, 3-(Trifluoromethyl)pyrazole-5-carboxylicAcid, BB 0237694, BB 0260773, CS-0042230, FT-0691942, ST24044288, Z2930, EN300-83633, MFCD03074352 (95%), 5-Trifluoromethyl-1H-Pyrazole-3-carboxylicacid, K-4034, T57061, T57306, 5-trifluoromethyl-2 h-pyrazole-3-carboxylic acid, 5-Trifluoromethyl-2H-pyrazole-3-carboxylic acid, J-005713, J-516435, 1H-Pyrazole-5-carboxylic acid, 3-(trifluoromethyl)-, F8889-0856, Z1998636600, 5-(Trifluoromethyl)-1H-pyrazole-3-carboxylic acid, AldrichCPR, 5-Trifluoromethyl-2H-pyrazole-3-carboxylic acid, AldrichCPR, 3-(2-ethoxyethoxy)aniline, C5H3F3N2O2, ACN-039263, CID4193848, 5-(Trifluoromethyl)-1H-pyrazole-3-carboxylic acid, 97% - 1G 1g,

Complexity	194
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.015g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	180.086g/mol
Monoisotopic Mass	180.015g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	66A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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