AG001XWW

1682-04-8 | Benzene, 1-bromo-2,3,5,6-tetrafluoro-4-methoxy-

AG001XWW

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CAS Number	1682-04-8
Catalog Number	AG001XWW(AGN-PC-0NJST2)
Chemical Name	Benzene, 1-bromo-2,3,5,6-tetrafluoro-4-methoxy-
IUPAC Name	1-bromo-2,3,5,6-tetrafluoro-4-methoxybenzene
InChI	InChI=1S/C7H3BrF4O/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h1H3
InChI Key	NLWGEYNHXVCHOS-UHFFFAOYSA-N
MDL Number	MFCD22054944
Molecular Formula	C7H3BrF4O
Molecular Weight	258.9957
SMILES	COC1=C(F)C(F)=C(Br)C(F)=C1F
Synonyms	1-Bromo-2,3,5,6-tetrafluoro-4-methoxybenzene, 1682-04-8, 4-bromo-2,3,5,6-tetrafluoroanisole, AK156923, SCHEMBL2922201, MFCD22054944, ZINC39260725, FCH1584307, AJ-99485, AX8291146, CS-0061894, 1-Methoxy-2,3,5,6-tetrafluoro-4-bromobenzene, Benzene, 1-bromo-2,3,5,6-tetrafluoro-4-methoxy-,

Complexity	166
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	257.93g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	258.998g/mol
Monoisotopic Mass	257.93g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	9.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

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