AG0000DB

1000339-98-9 | 1H-Indazole, 4-(trifluoromethyl)-

AG0000DB

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CAS Number	1000339-98-9
Catalog Number	AG0000DB(AGN-PC-0WBT5O)
Chemical Name	1H-Indazole, 4-(trifluoromethyl)-
IUPAC Name	4-(trifluoromethyl)-1H-indazole
InChI	InChI=1S/C8H5F3N2/c9-8(10,11)6-2-1-3-7-5(6)4-12-13-7/h1-4H,(H,12,13)
InChI Key	KCWIWQGNCLKDJZ-UHFFFAOYSA-N
MDL Number	MFCD09263211
Molecular Formula	C8H5F3N2
Molecular Weight	186.1339
SMILES	FC(F)(F)C1=C2C=NNC2=CC=C1
Synonyms	4-(Trifluoromethyl)-1H-indazole, 1000339-98-9, 4-trifluoromethyl-1h-indazole, J-650212, W-204320, SCHEMBL12683720, SCHEMBL20188969, CTK7B6864, KS-00003TBS, DTXSID80646703, ZX-AP010735, 1H-Indazole, 4-(trifluoromethyl)-, ANW-70427, BBL102938, CT-194, FCH922947, MFCD09263211, PC8056, SBB056404, STL556747, ZINC14985959, AKOS006344552, MB07219, RP03433, AJ-66480, AK100232, TS-02592, AB0039303, AX8241202, DB-058214, TC-159172, FT-0724074, ST24023253, Y6749, Q-8474, I10-1778, J-513906, C8H5F3N2,

Complexity	192
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	186.04g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	186.137g/mol
Monoisotopic Mass	186.04g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	28.7A^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-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number