AG00DHW0

467451-91-8 | 6-(Trifluoromethoxy)-1H-indole

AG00DHW0

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CAS Number	467451-91-8
Catalog Number	AG00DHW0(AGN-PC-03JMJ2)
Chemical Name	6-(Trifluoromethoxy)-1H-indole
IUPAC Name	6-(trifluoromethoxy)-1H-indole
InChI	InChI=1S/C9H6F3NO/c10-9(11,12)14-7-2-1-6-3-4-13-8(6)5-7/h1-5,13H
InChI Key	DODJNBPQUZSJKO-UHFFFAOYSA-N
MDL Number	MFCD01632176
Molecular Formula	C9H6F3NO
Molecular Weight	201.1452
SMILES	FC(F)(F)OC1=CC2=C(C=C1)C=CN2
Synonyms	6-(Trifluoromethoxy)-1H-indole, 467451-91-8, 6-(trifluoromethoxy)indole, AK-79475, 6-trifluoromethoxyindole, SCHEMBL981786, CTK7B7465, DTXSID60621997, DODJNBPQUZSJKO-UHFFFAOYSA-N, KS-00000PP3, 6-TRIFLUOROMETHOXY-1H-INDOLE, ANW-47187, MFCD01632176, ZINC26894087, AKOS015919776, CS-W002800, DS-1737, FCH1332814, AJ-82759, BR-79475, CJ-17534, SY033204, AB0025021, AX8225603, TC-135932, 4CH-011399, ST24024234, W6404, MFCD01632176 (95%), S-7597, T119061, C9H6F3NO, 1H-Indole, 6-(trifluoromethoxy)-, 1735-89-3, 959235-95-1,

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	3.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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