AG00I67Y

327-20-8 | 1H-Indole-2-carboxylicacid, 6-(trifluoromethyl)-

AG00I67Y

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CAS Number	327-20-8
Catalog Number	AG00I67Y(AGN-PC-0LD4MS)
Chemical Name	1H-Indole-2-carboxylicacid, 6-(trifluoromethyl)-
IUPAC Name	6-(trifluoromethyl)-1H-indole-2-carboxylic acid
InChI	InChI=1S/C10H6F3NO2/c11-10(12,13)6-2-1-5-3-8(9(15)16)14-7(5)4-6/h1-4,14H,(H,15,16)
InChI Key	CDWGDLKZKCYUFO-UHFFFAOYSA-N
MDL Number	MFCD02664465
Molecular Formula	C10H6F3NO2
Molecular Weight	229.1553
SMILES	OC(=O)C1=CC2=C(N1)C=C(C=C2)C(F)(F)F
Synonyms	327-20-8, 6-(Trifluoromethyl)-1H-indole-2-carboxylic acid, 6-(Trifluoromethyl)indole-2-carboxylic acid, 6-Trifluoromethyl-1H-indole-2-carboxylic acid, 1H-Indole-2-carboxylic acid, 6-(trifluoromethyl)-, 6-(Trifluoromethyl)-2-indole carboxylic acid, EC-000.1922, 1H-Indole-2-carboxylicacid, 6-(trifluoromethyl)-, PubChem7182, 6-(Trifluoromethyl)indole-2-carboxylicacid, AC1NC1I0, SCHEMBL3643672, CTK1C2226, DTXSID50404175, ZINC2582707, ANW-72615, BBL021314, CT-377, MFCD02664465, STK894022, AKOS005144159, AS06067, CM13625, MCULE-4865217394, RD-0088, AJ-43128, AS-33209, AB0104091, TC-070371, A5847, BB 0220675, FT-0656539, H8237, T57319, 6-TRIFLUORMETHYLINDOLE-2-CARBOXYLIC ACID, A821386, I10-0177, J-504699, Z1575143760, 6 - (Trifluoromethyl) - 1H - indole - 2 - carboxylic acid, CID4551725, 6-(Trifluoromethyl)-1H-indole-2-carboxylicacid,

Complexity	292
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	229.035g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	229.158g/mol
Monoisotopic Mass	229.035g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	53.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

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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