AG009JRS

1426958-36-2 | 1-Butyl-3-(Trifluoromethyl)Pyrazole

AG009JRS

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CAS Number	1426958-36-2
Catalog Number	AG009JRS(AGN-PC-0WANMO)
Chemical Name	1-Butyl-3-(Trifluoromethyl)Pyrazole
IUPAC Name	1-butyl-3-(trifluoromethyl)pyrazole
InChI	InChI=1S/C8H11F3N2/c1-2-3-5-13-6-4-7(12-13)8(9,10)11/h4,6H,2-3,5H2,1H3
InChI Key	BOHNJAUMOOXBJP-UHFFFAOYSA-N
MDL Number	MFCD21668277
Molecular Formula	C8H11F3N2
Molecular Weight	192.1815
SMILES	FC(C1=NN(CCCC)C=C1)(F)F
Synonyms	1-butyl-3-(trifluoromethyl)pyrazole, 1426958-36-2, 1-BUTYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE, SCHEMBL13270149, KS-00000SXO, KM3836, MFCD21668277, ZINC85020357, AKOS015357097, AM85169, DS-9599, AK167901, 1H-Pyrazole, 1-butyl-3-(trifluoromethyl)-, C8H11F3N2, ACN-046595, V3216,

Complexity	158
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	192.087g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	192.185g/mol
Monoisotopic Mass	192.087g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	17.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

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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