AG00CLM4

318951-60-9 | 3-(Trifluoromethyl)-1H-pyrazole-4-carbonitrile

AG00CLM4

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CAS Number	318951-60-9
Catalog Number	AG00CLM4(AGN-PC-0O8VAX)
Chemical Name	3-(Trifluoromethyl)-1H-pyrazole-4-carbonitrile
IUPAC Name	5-(trifluoromethyl)-1H-pyrazole-4-carbonitrile
InChI	InChI=1S/C5H2F3N3/c6-5(7,8)4-3(1-9)2-10-11-4/h2H,(H,10,11)
InChI Key	HNIRANRLHUHUOS-UHFFFAOYSA-N
MDL Number	MFCD00231871
Molecular Formula	C5H2F3N3
Molecular Weight	161.0847
SMILES	FC(F)(F)C1=NNC=C1C#N
Synonyms	3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile, 318951-60-9, AK-31397, 5-(trifluoromethyl)-1H-pyrazole-4-carbonitrile, Bionet2_000977, AC1LS731, SCHEMBL3454150, SCHEMBL12933739, CTK8C2936, KS-00000PHD, DTXSID30363276, HNIRANRLHUHUOS-UHFFFAOYSA-N, HMS1366M09, ZINC1396895, 3-(trifluoromethyl)-4-cyanopyrazole, ANW-69330, FCH834474, MFCD00231871, AKOS006238578, MCULE-6743208051, SB15979, AJ-25592, AX8222665, TC-158075, CS-0054470, ST24041689, 7H-076, F2198-4616, ZINC01396895, CID1483378, 1H-Pyrazole-4-carbonitrile, 3-(trifluoromethyl)-,

Complexity	191
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	161.02g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	161.087g/mol
Monoisotopic Mass	161.02g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	52.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

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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