AG00C0I0

349-60-0 | 3,5-Bis(trifluoromethyl)anisole

AG00C0I0

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CAS Number	349-60-0
Catalog Number	AG00C0I0(AGN-PC-0RACEX)
Chemical Name	3,5-Bis(trifluoromethyl)anisole
IUPAC Name	1-methoxy-3,5-bis(trifluoromethyl)benzene
InChI	InChI=1S/C9H6F6O/c1-16-7-3-5(8(10,11)12)2-6(4-7)9(13,14)15/h2-4H,1H3
InChI Key	HQZFGUOTUIHWLR-UHFFFAOYSA-N
MDL Number	MFCD00728736
Molecular Formula	C9H6F6O
Molecular Weight	244.1338
SMILES	COC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
Synonyms	3,5-Bis(trifluoromethyl)anisole, 349-60-0, 1-methoxy-3,5-bis(trifluoromethyl)benzene, MFCD00728736, 1,3-bis(trifluoromethyl)-5-methoxybenzene, ACMC-20ahui, PubChem4553, AC1MC7V9, KSC495Q3D, SCHEMBL679095, CTK3J5831, DTXSID60372255, 3,5-bis-(Trifluoromethyl)anisole, HQZFGUOTUIHWLR-UHFFFAOYSA-N, ZINC165691, ACT13033, JRD-1066, KS-00000L0X, ANW-74056, SBB099809, AKOS005255275, AM61505, AS04227, MCULE-7183702543, RTR-014438, VZ25642, 1-methoxy-3,5-di(trifluoromethyl)benzene, AJ-16421, AK-87086, CJ-02295, DS-18273, SC-58031, ZB008519, AB0042650, DB-021971, TR-014438, FT-0614448, ST24038067, ST50827026, Z0532, Benzene, 1-methoxy-3,5-bis(trifluoromethyl)-, Q-8084, A822481, 3,5-BIS ANISOLE, C9H6F6O, 3,5 - Bis(trifluoromethyl)anisole, ZINC00165691, CID2737804,

Complexity	211
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	244.032g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	244.136g/mol
Monoisotopic Mass	244.032g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	9.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 1993

Certificate of Analysis

Lot Number