AG000PRR

1198475-24-9 | 1H-Indole, 5-bromo-6-(trifluoromethyl)-

AG000PRR

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CAS Number	1198475-24-9
Catalog Number	AG000PRR(AGN-PC-0WB0PX)
Chemical Name	1H-Indole, 5-bromo-6-(trifluoromethyl)-
IUPAC Name	5-bromo-6-(trifluoromethyl)-1H-indole
InChI	InChI=1S/C9H5BrF3N/c10-7-3-5-1-2-14-8(5)4-6(7)9(11,12)13/h1-4,14H
InChI Key	BANFNSUAJPLWMG-UHFFFAOYSA-N
MDL Number	MFCD03094968
Molecular Formula	C9H5BrF3N
Molecular Weight	264.0419
SMILES	FC(F)(F)c1cc2[nH]ccc2cc1Br
Synonyms	5-bromo-6-(trifluoromethyl)-1H-indole, 1198475-24-9, 5-Bromo-6-trifluoromethyl-1H-indole, bromotrifluoromethylindole, 1H-Indole, 5-bromo-6-(trifluoromethyl)-, SCHEMBL850198, CTK5I6518, 5-bromo-6-(trifluoromethyl)indole, ZX-AP011099, 0799AD, MFCD03094968, SBB102739, ZINC43828016, AKOS005073355, FCH1334747, LD-0012, MCULE-8208776041, RP14857, SB15959, PC200287, SC-36032, AJ-108959, TR-070707, BB 0261257, CS-0050582, KS-00000609, Z-7320, C9H5BrF3N,

Complexity	219
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	262.956g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	264.045g/mol
Monoisotopic Mass	262.956g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	15.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301
Packing Group	Ⅲ
Precautionary statements	P264-P270-P301+P312-P330
UN Code	UN 2811

Certificate of Analysis

Lot Number