AG003A4E

848360-85-0 | 1-Bromo-2-methoxy-4-(trifluoromethoxy)benzene

AG003A4E

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CAS Number	848360-85-0
Catalog Number	AG003A4E(AGN-PC-058CDW)
Chemical Name	1-Bromo-2-methoxy-4-(trifluoromethoxy)benzene
IUPAC Name	1-bromo-2-methoxy-4-(trifluoromethoxy)benzene
InChI	InChI=1S/C8H6BrF3O2/c1-13-7-4-5(2-3-6(7)9)14-8(10,11)12/h2-4H,1H3
InChI Key	XUQRLMCZVKFXFX-UHFFFAOYSA-N
MDL Number	MFCD08458014
Molecular Formula	C8H6BrF3O2
Molecular Weight	271.0312
SMILES	COC1=C(Br)C=CC(OC(F)(F)F)=C1
Synonyms	1-Bromo-2-methoxy-4-(trifluoromethoxy)benzene, 848360-85-0, 2-Methoxy-4-(trifluoromethoxy)bromobenzene, AK104937, SCHEMBL5747338, CTK6J6666, KS-00000QPH, DTXSID20650405, XUQRLMCZVKFXFX-UHFFFAOYSA-N, ZX-AP010631, 2-Bromo-5-(trifluoromethoxy)anisole, 3077AC, ANW-70850, MFCD08458014, ZINC16158252, AKOS016007774, AM87234, CS-W019219, DS-4429, FCH1388996, 2-Methoxy-4-trifluoromethoxy bromobenzene, AJ-68506, SC-52001, AX8239145, TC-159595, 1-Bromo-2-methoxy-4-trifluoromethoxy-benzene, Z-2877, C8H6BrF3O2,

Complexity	186
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	269.95g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	271.033g/mol
Monoisotopic Mass	269.95g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	18.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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