AG000QNF

543739-84-0 | 1H-Pyrazole-4-carboxylic acid, 3-(trifluoromethyl)-

AG000QNF

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CAS Number	543739-84-0
Catalog Number	AG000QNF(AGN-PC-0OC1Q0)
Chemical Name	1H-Pyrazole-4-carboxylic acid, 3-(trifluoromethyl)-
IUPAC Name	5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
InChI	InChI=1S/C5H3F3N2O2/c6-5(7,8)3-2(4(11)12)1-9-10-3/h1H,(H,9,10)(H,11,12)
InChI Key	VHKMTORCXXPIFI-UHFFFAOYSA-N
MDL Number	MFCD00661951
Molecular Formula	C5H3F3N2O2
Molecular Weight	180.0847
SMILES	O=C(C1=C(C(F)(F)F)NN=C1)O
Synonyms	5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid, 543739-84-0, 3-(Trifluoromethyl)-1H-pyrazole-4-carboxylic acid, 1259932-11-0, 3-(trifluoromethyl)pyrazole-4-carboxylic acid, 1H-Pyrazole-4-carboxylic acid, 3-(trifluoromethyl)-, C5H3F3N2O2, 3-trifluoromethyl-1h-pyrazole-4-carboxylic acid, 1H-Pyrazole-4-carboxylicacid, 3-(trifluoromethyl)-, 700372-25-4, AC1LSXNP, 3-(trifluoromethyl)-2H-pyrazole-4-carboxylic Acid, KSC267M2L, SCHEMBL214467, AMOT0268, CTK1G7625, CTK8B5910, KS-00000HIQ, VHKMTORCXXPIFI-UHFFFAOYSA-N, BCP22855, ZINC1384589, ZX-RL005813, ANW-44140, ANW-51000, BBL104366, MFCD00661951, MFCD04125015, SBB053195, STL415421, AKOS000144043, AKOS005258988, BCP9000173, CS-W017236, DS-0690, MCULE-1167332788, QC-4648, RP24113, TRA0094837, AC-28856, AJ-77296, AK-29370, AK-75699, BR-29370, BR-75699, PC200529, TS-02510, AB0035333, AX8220116, TC-132885, TR-037043, 4CH-003986, 4CH-008147, AM20100340, FT-0646313, ST24022636, ST24029302, X9647, S-4326, S-4597, 2X-0834, 3-(Trifluoromethyl)-1H-pyrazole-4-carboxylicacid, 3-(Trifluoromethyl)pyrazole-4-carboxylic acid, 97%, I11-0434, J-516436, CID1473086,

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	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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