AG0039TJ

183945-52-0 | 3-Methyl-4-(trifluoromethoxy)aniline

AG0039TJ

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CAS Number	183945-52-0
Catalog Number	AG0039TJ(AGN-PC-0N6KTD)
Chemical Name	3-Methyl-4-(trifluoromethoxy)aniline
IUPAC Name	3-methyl-4-(trifluoromethoxy)aniline
InChI	InChI=1S/C8H8F3NO/c1-5-4-6(12)2-3-7(5)13-8(9,10)11/h2-4H,12H2,1H3
InChI Key	XUHCPLRDLVPBFX-UHFFFAOYSA-N
MDL Number	MFCD18399693
Molecular Formula	C8H8F3NO
Molecular Weight	191.1504
SMILES	CC=1C=C(N)C=CC1OC(F)(F)F
Synonyms	3-methyl-4-(trifluoromethoxy)aniline, 183945-52-0, Benzenamine, 3-methyl-4-(trifluoromethoxy)-, 2-methyl-4-amino-1-trifluoromethoxy-benzene, SCHEMBL9204260, DTXSID70441704, KS-00000RK5, MFCD18399693, ZINC39018059, AKOS016845798, DS-4758, AJ-97358, AK134226, CJ-19636, ST2410780, 4CH-016274, CS-0042400, FT-0705578, CID10559604,

Complexity	171
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	191.056g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	191.153g/mol
Monoisotopic Mass	191.056g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	35.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

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

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