AG000KTF

123572-63-4 | Benzenamine, 5-fluoro-2-(trifluoromethoxy)-

AG000KTF

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CAS Number	123572-63-4
Catalog Number	AG000KTF(AGN-PC-001FC0)
Chemical Name	Benzenamine, 5-fluoro-2-(trifluoromethoxy)-
IUPAC Name	5-fluoro-2-(trifluoromethoxy)aniline
InChI	InChI=1S/C7H5F4NO/c8-4-1-2-6(5(12)3-4)13-7(9,10)11/h1-3H,12H2
InChI Key	AUJAYNLPYRARLU-UHFFFAOYSA-N
MDL Number	MFCD16652514
Molecular Formula	C7H5F4NO
Molecular Weight	195.1143
SMILES	NC1=CC(F)=CC=C1OC(F)(F)F
Synonyms	5-Fluoro-2-(trifluoromethoxy)aniline, 123572-63-4, Benzenamine, 5-fluoro-2-(trifluoromethoxy)-, MFCD16652514, ACMC-20mqnl, SCHEMBL1275002, CTK0F7404, DTXSID40560294, ZINC34295775, AKOS015957102, AS05387, CM11484, FCH1182572, JS-4928, PC302356, CS-0037440, 5-FLUORO-2-(TRIFLUOROMETHOXY)BENZYLAMINE,

Complexity	172
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	195.031g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	195.117g/mol
Monoisotopic Mass	195.031g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	35.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H312-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338-P304+P340-P405-P501
UN Code	UN 2810

Certificate of Analysis

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