AG00GSM8

886363-40-2 | 1-Ethynyl-2-(trifluoromethoxy)benzene

AG00GSM8

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CAS Number	886363-40-2
Catalog Number	AG00GSM8(AGN-PC-0VMVE8)
Chemical Name	1-Ethynyl-2-(trifluoromethoxy)benzene
IUPAC Name	1-ethynyl-2-(trifluoromethoxy)benzene
InChI	InChI=1S/C9H5F3O/c1-2-7-5-3-4-6-8(7)13-9(10,11)12/h1,3-6H
InChI Key	QWFMOKRCLHCPSJ-UHFFFAOYSA-N
MDL Number	MFCD03839994
Molecular Formula	C9H5F3O
Molecular Weight	186.1306
SMILES	FC(F)(F)OC1=CC=CC=C1C#C
Synonyms	1-ethynyl-2-(trifluoromethoxy)benzene, 886363-40-2, 2'-Trifluoromethoxyphenyl acetylene, Q-102442, 2'-Trifluoromethoxyphenylacetylene, SCHEMBL10519027, CTK5J0642, KS-00000KUQ, DTXSID90654132, QWFMOKRCLHCPSJ-UHFFFAOYSA-N, ZINC2513053, 4463AC, ANW-73295, MFCD03839994, AKOS010651615, DS-3344, FCH5302605, PC53008, RTC-061273, AJ-36783, AK105166, BBV-36832171, SC-21639, AX8036593, FT-0691038, 2'-TRIFLUOROMETHOXYPHENYL ACETYLENE97%, F2147-2805, C9H5F3O, A10615,

Complexity	213
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	186.029g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	186.133g/mol
Monoisotopic Mass	186.029g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	9.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H227-H315-H319-H335
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

Lot Number