AG002SH2

262593-63-5 | 1H-INDOLE, 5-(TRIFLUOROMETHOXY)-

AG002SH2

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CAS Number	262593-63-5
Catalog Number	AG002SH2(AGN-PC-01NM6P)
Chemical Name	1H-INDOLE, 5-(TRIFLUOROMETHOXY)-
IUPAC Name	5-(trifluoromethoxy)-1H-indole
InChI	InChI=1S/C9H6F3NO/c10-9(11,12)14-7-1-2-8-6(5-7)3-4-13-8/h1-5,13H
InChI Key	XVYXWSODSCHHHB-UHFFFAOYSA-N
MDL Number	MFCD09954768
Molecular Formula	C9H6F3NO
Molecular Weight	201.1452
SMILES	FC(F)(F)OC1=CC2=C(NC=C2)C=C1
Synonyms	5-(Trifluoromethoxy)-1H-indole, 262593-63-5, 5-(TRIFLUOROMETHOXY)INDOLE, 1H-Indole, 5-(trifluoromethoxy)-, 5-Trifluoromethoxy-1H-indole, SCHEMBL1196876, CTK8B5061, DTXSID40591982, XVYXWSODSCHHHB-UHFFFAOYSA-N, KS-00000PP0, ANW-47273, CT-196, CT0243, MFCD09954768, ZINC20494293, AKOS015919775, CS-W022264, DS-1736, QC-2932, VI30246, AJ-77830, AK-79474, BR-79474, CJ-16772, SC-35954, AB0023830, TC-136018, 4CH-011395, FT-0737197, ST24023794, W4970, S-7282, C9H6F3NO, 953906-76-8,

Complexity	207
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	201.04g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	201.148g/mol
Monoisotopic Mass	201.04g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	25A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

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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