AG006ZLK

454-90-0 | 1-Methoxy-3-(trifluoromethyl)benzene

AG006ZLK

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CAS Number	454-90-0
Catalog Number	AG006ZLK(AGN-PC-0JM22D)
Chemical Name	1-Methoxy-3-(trifluoromethyl)benzene
EC Number	207-229-7
IUPAC Name	1-methoxy-3-(trifluoromethyl)benzene
InChI	InChI=1S/C8H7F3O/c1-12-7-4-2-3-6(5-7)8(9,10)11/h2-5H,1H3
InChI Key	XHONYVFDZSPELQ-UHFFFAOYSA-N
MDL Number	MFCD00000385
Molecular Formula	C8H7F3O
Molecular Weight	176.1358
NSC Number	86566
SMILES	C1=C(C=CC=C1OC)C(F)(F)F
Synonyms	3-(Trifluoromethyl)anisole, 454-90-0, 1-methoxy-3-(trifluoromethyl)benzene, 3-methoxybenzotrifluoride, 3-Trifluoromethylanisole, Benzene, 1-methoxy-3-(trifluoromethyl)-, XHONYVFDZSPELQ-UHFFFAOYSA-N, MFCD00000385, 3-methoxy-1-(trifluoromethyl)benzene, NSC86566, EINECS 207-229-7, PubChem2712, 3-trifluoromethylanisol, ACMC-1CUJ0, m-(Trifluoromethyl)anisole, AC1L3X0C, AC1Q4JN1, KSC497O1J, m-trifluoromethylmethoxybenzene, SCHEMBL167016, SCHEMBL13322164, CTK3J7714, DTXSID60196498, 3-(Trifluoromethyl)anisole, 99%, KS-000010HY, ZINC1556214, ANW-30287, NSC-86566, SBB089131, AKOS006223894, 1-Methoxy-3-(trifluoromethyl)-benzene, AS01274, MCULE-5306012152, Methyl 3-(trifluoromethyl)phenyl ether, PS-8586, RTR-017277, VZ27041, AJ-26967, AN-45007, BP-12852, BR-54787, CJ-05323, CJ-24449, Methyl 3-(trifluoromethyl)phenyl ether #, SC-04647, AB0021019, DB-030876, TR-017277, A5670, AM20040505, CS-0085462, FT-0615991, M2243, ST24027103, ST50406514, V2162, M-6314, InChI=1/C8H7F3O/c1-12-7-4-2-3-6(5-7)8(9,10)11/h2-5H,1H, 3- ANISOLE, C8H7F3O, C8-H7-F3-O, CID96691, AR-1F5305, 2-amino-3-trifluoromethyl-benzoic acid, 2-Amino-3-(Trifluoromethyl)BenzoicAcid, 3-(Trifluoromethyl)anisole, 99% - 100G 100g, 313-12-2, 4887-80-3,

Complexity	144
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	176.045g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	176.138g/mol
Monoisotopic Mass	176.045g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	9.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

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