AG000KTH

123572-59-8 | Benzenamine, 2,4-difluoro-5-(trifluoromethoxy)-

AG000KTH

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CAS Number	123572-59-8
Catalog Number	AG000KTH(AGN-PC-001FC5)
Chemical Name	Benzenamine, 2,4-difluoro-5-(trifluoromethoxy)-
IUPAC Name	2,4-difluoro-5-(trifluoromethoxy)aniline
InChI	InChI=1S/C7H4F5NO/c8-3-1-4(9)6(2-5(3)13)14-7(10,11)12/h1-2H,13H2
InChI Key	YDLIEJPIFDOQSD-UHFFFAOYSA-N
MDL Number	MFCD16658808
Molecular Formula	C7H4F5NO
Molecular Weight	213.1048
SMILES	FC1=C(C=C(C(=C1)F)OC(F)(F)F)N
Synonyms	123572-59-8, 2,4-DIFLUORO-5-(TRIFLUOROMETHOXY)ANILINE, 2,4-Difluoro-5-(trifluoromethoxy)benzenamine, 3-Amino-4,6-difluoro(trifluoromethoxy)benzene, AK-79652, SCHEMBL10333792, CTK3J8319, DTXSID60560296, YDLIEJPIFDOQSD-UHFFFAOYSA-N, ANW-44876, MFCD16658808, ZINC34295785, AKOS015853410, FCH1346827, RTR-035010, KS-000000U8, AJ-87859, DS-17719, AX8227880, TR-035010, CS-0060132, FT-0686977, ST24021517, X0211, 3-amino-4,6-difluoro-trifluoromethoxy-benzene, 2,4-difluoro-5-(trifluoromethoxy)-benzenamine, Benzenamine, 2,4-difluoro-5-(trifluoromethoxy)-, C7H4F5NO, RW1805,

Complexity	197
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	213.021g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	213.107g/mol
Monoisotopic Mass	213.021g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	35.2A^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

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