AG00DIYX

453560-74-2 | 2-Methoxy-4-nitro-1-(trifluoromethyl)benzene

AG00DIYX

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CAS Number	453560-74-2
Catalog Number	AG00DIYX(AGN-PC-01LV0P)
Chemical Name	2-Methoxy-4-nitro-1-(trifluoromethyl)benzene
IUPAC Name	2-methoxy-4-nitro-1-(trifluoromethyl)benzene
InChI	InChI=1S/C8H6F3NO3/c1-15-7-4-5(12(13)14)2-3-6(7)8(9,10)11/h2-4H,1H3
InChI Key	UDEARCRKLPPYAU-UHFFFAOYSA-N
MDL Number	MFCD04112485
Molecular Formula	C8H6F3NO3
Molecular Weight	221.1333
SMILES	FC(C1=CC=C([N+]([O-])=O)C=C1OC)(F)F
Synonyms	2-methoxy-4-nitro-1-(trifluoromethyl)benzene, 453560-74-2, 1-Trifluoromethyl-2-methoxy-4-nitrobenzene, SCHEMBL447240, methoxynitrotrifluoromethylbenzene, 5-Nitro-2-trifluoromethylanisole, CTK6J6682, DTXSID50590840, UDEARCRKLPPYAU-UHFFFAOYSA-N, 5-Nitro-2-(trifluoromethyl)anisole, 3904AE, MFCD04112485, SBB096093, ZINC32911338, AKOS005071795, AD-0764, RP12774, KS-0000220D, AJ-85530, TR-064247, 2-methoxy-4-nitro-1-trifluoromethyl-benzene, 1-(Trifluoromethyl)-2-methoxy-4-nitrobenzene, J-509807, C8H6F3NO3,

Complexity	238
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	221.03g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	221.135g/mol
Monoisotopic Mass	221.03g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	55A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

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

Lot Number