AG0000H0

1000341-27-4 | 3-Iodo-6-(trifluoromethyl)-1H-indazole

AG0000H0

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CAS Number	1000341-27-4
Catalog Number	AG0000H0(AGN-PC-0WAN2M)
Chemical Name	3-Iodo-6-(trifluoromethyl)-1H-indazole
IUPAC Name	3-iodo-6-(trifluoromethyl)-2H-indazole
InChI	InChI=1S/C8H4F3IN2/c9-8(10,11)4-1-2-5-6(3-4)13-14-7(5)12/h1-3H,(H,13,14)
InChI Key	ARPPCBLAYCXFHA-UHFFFAOYSA-N
MDL Number	MFCD09263230
Molecular Formula	C8H4F3IN2
Molecular Weight	312.0304
SMILES	FC(C1=CC2=C(C=C1)C(I)=NN2)(F)F
Synonyms	3-Iodo-6-(trifluoromethyl)-1H-indazole, 1000341-27-4, 1H-INDAZOLE, 3-IODO-6-(TRIFLUOROMETHYL)-, 3-iodo-6-(trifluoromethyl)-2H-indazole, AK134930, 3-Iodo-6-trifluoromethyl-1H-indazole, SCHEMBL1513093, DTXSID40646709, ARPPCBLAYCXFHA-UHFFFAOYSA-N, 0036AA, CI-573, MFCD09263230, ZINC14986013, 6-trifluoromethyl-3-iodo-1h-indazole, AKOS016842560, DS-4862, FCH1324172, MB07234, AJ-66497, 3-Iodo-6-(trifluoromethyl) (1H)Indazole, AX8257040, 4CH-003320, CS-0041074, W-1073, C8H4F3IN2,

Complexity	221
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	311.937g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	312.034g/mol
Monoisotopic Mass	311.937g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	28.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

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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