AG00AQJB

1437795-15-7 | 1-Isobutyl-3-trifluoromethyl-1H-pyrazole

AG00AQJB

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CAS Number	1437795-15-7
Catalog Number	AG00AQJB(AGN-PC-0WANKL)
Chemical Name	1-Isobutyl-3-trifluoromethyl-1H-pyrazole
IUPAC Name	1-(2-methylpropyl)-3-(trifluoromethyl)pyrazole
InChI	InChI=1S/C8H11F3N2/c1-6(2)5-13-4-3-7(12-13)8(9,10)11/h3-4,6H,5H2,1-2H3
InChI Key	NYBYYTWVFAAHNG-UHFFFAOYSA-N
MDL Number	MFCD21668199
Molecular Formula	C8H11F3N2
Molecular Weight	192.1815
SMILES	CC(C)CN1C=CC(=N1)C(F)(F)F
Synonyms	1437795-15-7, 1-ISOBUTYL-3-TRIFLUOROMETHYL-1H-PYRAZOLE, 1-Isobutyl-3-(trifluoromethyl)-1H-pyrazole, 1-Isobutyl-3-(trifluoromethyl)pyrazole, SCHEMBL14384098, KM3842, MFCD21668199, ZINC85020188, AKOS015359106, AM808035, AS-48255, V3309, 1H-Pyrazole, 1-(2-methylpropyl)-3-(trifluoromethyl)-, C8H11F3N2, ACN-046592,

Complexity	167
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	2
Topological Polar Surface Area	17.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

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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