AG0001MV

131797-35-8 | 1H-Pyrazole, 3-chloro-5-(trifluoromethyl)-

AG0001MV

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CAS Number	131797-35-8
Catalog Number	AG0001MV(AGN-PC-0WALMT)
Chemical Name	1H-Pyrazole, 3-chloro-5-(trifluoromethyl)-
IUPAC Name	3-chloro-5-(trifluoromethyl)-1H-pyrazole
InChI	InChI=1S/C4H2ClF3N2/c5-3-1-2(9-10-3)4(6,7)8/h1H,(H,9,10)
InChI Key	MOIFODGGQARBFF-UHFFFAOYSA-N
MDL Number	MFCD07375186
Molecular Formula	C4H2ClF3N2
Molecular Weight	170.5203
SMILES	FC(C1=NNC(Cl)=C1)(F)F
Synonyms	5-chloro-3-(trifluoromethyl)-1H-pyrazole, 1003320-19-1, 5-CHLORO-3-TRIFLUOROMETHYL-1H-PYRAZOLE, 131797-35-8, 3-chloro-5-(trifluoromethyl)-1H-pyrazole, C4H2ClF3N2, SCHEMBL2578654, CTK3J8800, KS-00000JWL, DTXSID50629962, MOIFODGGQARBFF-UHFFFAOYSA-N, 5-chloro-3-trifluoromethylpyrazole, 3724AD, ANW-50090, MFCD07375186, SBB054442, ZINC40448060, 5-chloro-3-(trifluoromethyl)pyrazole, AKOS015850264, AB41391, ACN-048641, DS-0538, MP-1556, AK-29699, CJ-20099, DA-18930, DA-18934, EN001122, TS-01464, 1H-Pyrazole,5-chloro-3-(trifluoromethyl)-, AB0034351, AJ-102562, ST2418730, TR-033757, 4CH-012626, FT-0647978, FT-0747965, X8492, 1H-Pyrazole, 3-chloro-5-(trifluoromethyl)-, J-500557, (2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)(piperazin-1-yl)methanone hydrochloride,

Complexity	126
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	169.986g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	170.519g/mol
Monoisotopic Mass	169.986g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	28.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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