AG002ZQW

303186-19-8 | 4-[Difluoro(3,4,5-trifluorophenoxy)methyl]-4'-ethyl-3,5-difluorobiphenyl

AG002ZQW

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CAS Number	303186-19-8
Catalog Number	AG002ZQW(AGN-PC-0R5PEB)
Chemical Name	4-[Difluoro(3,4,5-trifluorophenoxy)methyl]-4'-ethyl-3,5-difluorobiphenyl
EC Number	608-461-5
IUPAC Name	2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-5-(4-ethylphenyl)-1,3-difluorobenzene
InChI	InChI=1S/C21H13F7O/c1-2-11-3-5-12(6-4-11)13-7-15(22)19(16(23)8-13)21(27,28)29-14-9-17(24)20(26)18(25)10-14/h3-10H,2H2,1H3
InChI Key	ZTUBOAYBUBUTPH-UHFFFAOYSA-N
MDL Number	MFCD22376741
Molecular Formula	C21H13F7O
Molecular Weight	414.3161
SMILES	FC1=C(C(F)(F)OC2=CC(F)=C(F)C(F)=C2)C(F)=CC(C3=CC=C(CC)C=C3)=C1
Synonyms	303186-19-8, 4-(Difluoro(3,4,5-trifluorophenoxy)methyl)-4'-ethyl-3,5-difluoro-1,1'-biphenyl, 4-[Difluoro(3,4,5-trifluorophenoxy)methyl]-4'-ethyl-3,5-difluorobiphenyl, 4-[difluoro(3,4,5-trifluorophenoxy)methyl]-4'-ethyl-3,5-difluoro-1,1'-Biphenyl, SCHEMBL15965522, KS-00000TLQ, MFCD22376741, AKOS027460715, ZINC201260773, AK542485, DS-19163, CS-0059885, D5129, 1,1'-Biphenyl, 4-[difluoro(3,4,5-trifluorophenoxy)methyl]-4'-ethyl-3,5-difluoro-, 1,1'-Biphenyl,4-[difluoro(3,4,5-trifluorophenoxy)methyl]-4'-ethyl-3,5-difluoro-, 2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-5-(4-ethylphenyl)-1,3-difluoro-benzene, 4-Ethyl-3',5'-difluoro-4'-[difluoro(3,4,5-trifluorophenoxy)methyl]biphenyl,

Complexity	501
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	414.085g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	414.323g/mol
Monoisotopic Mass	414.085g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	9.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	7.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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