AG003F5E

51310-54-4 | 2-(Trifluoromethyl)-1H-indole

AG003F5E

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CAS Number	51310-54-4
Catalog Number	AG003F5E(AGN-PC-0ND1OT)
Chemical Name	2-(Trifluoromethyl)-1H-indole
IUPAC Name	2-(trifluoromethyl)-1H-indole
InChI	InChI=1S/C9H6F3N/c10-9(11,12)8-5-6-3-1-2-4-7(6)13-8/h1-5,13H
InChI Key	QFHVHZJGQWMBTE-UHFFFAOYSA-N
MDL Number	MFCD04972104
Molecular Formula	C9H6F3N
Molecular Weight	185.1458
SMILES	FC(C(N1)=CC2=C1C=CC=C2)(F)F
Synonyms	2-(trifluoromethyl)-1H-indole, 51310-54-4, 2-TRIFLUOROMETHYLINDOLE, 2-Trifluoromethyl-1H-indole, 1H-Indole, 2-(trifluoromethyl)-, AK-39673, T-6385, 2-(Trifluoromethyl)-1H-indole, 97%, PubChem23796, 2-(Trifluoromethyl)indole, SCHEMBL30145, 2-trifluoromethyl-(1H)-indole, CTK4J4027, DTXSID60448762, 2-(Trifluoromethyl)indole, 97%, QFHVHZJGQWMBTE-UHFFFAOYSA-N, KS-00000N9D, ZINC2539085, ANW-47175, BBL103694, FCH849637, MFCD04972104, STL557504, AKOS005256037, QC-9528, TRA0043740, ACM51310544, AC-22694, AJ-38801, AN-41278, BR-39673, DS-14011, SC-34128, AB0025210, AB1008738, AX8078880, ST2416275, TR-018285, 4CH-003726, FT-0681653, W6629, S-6607, 310T544, I10-0542, C9H6F3N, CID10932124,

Complexity	190
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	185.045g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	185.149g/mol
Monoisotopic Mass	185.045g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	15.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H317-H319
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
Signal Words	warning
UN Code	UN 2811

Certificate of Analysis

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