AG008Z3I

106877-20-7 | 3-methoxy-4-(trifluoromethyl)phenylamine

AG008Z3I

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CAS Number	106877-20-7
Catalog Number	AG008Z3I(AGN-PC-00NTYH)
Chemical Name	3-methoxy-4-(trifluoromethyl)phenylamine
IUPAC Name	3-methoxy-4-(trifluoromethyl)aniline
InChI	InChI=1S/C8H8F3NO/c1-13-7-4-5(12)2-3-6(7)8(9,10)11/h2-4H,12H2,1H3
InChI Key	QRLOMWASJXMURT-UHFFFAOYSA-N
MDL Number	MFCD11840978
Molecular Formula	C8H8F3NO
Molecular Weight	191.1504
SMILES	C(F)(F)(F)c1c(OC)cc(cc1)N
Synonyms	3-Methoxy-4-(trifluoromethyl)aniline, 106877-20-7, 3-methoxy-4-(trifluoromethyl)phenylamine, 3-METHOXY-4-TRIFLUOROMETHYLANILINE, Benzenamine, 3-methoxy-4-(trifluoromethyl)-, 1-Trifluoromethyl-2-methoxy-4-aminobenzene, methoxytrifluoromethylphenylamine, SCHEMBL1013276, CTK6J8400, DTXSID30548364, QRLOMWASJXMURT-UHFFFAOYSA-N, 1475AA, ANW-66295, CL8432, MFCD11840978, SBB091254, ZINC32911342, AKOS005071643, AD-0769, CS-W021951, MCULE-2085150054, RP11301, 3-methoxy-4-trifluoromethyl-phenylamine, AJ-85534, AK-69964, AB0087432, TR-064251, ST24042265, X-1404, J-512760, Z1925930259, C8H8F3NO,

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	2.1

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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