AG0039Y0

866633-25-2 | 2-bromo-4-fluoro-1-(trifluoromethoxy)benzene

AG0039Y0

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CAS Number	866633-25-2
Catalog Number	AG0039Y0(AGN-PC-09RXLC)
Chemical Name	2-bromo-4-fluoro-1-(trifluoromethoxy)benzene
IUPAC Name	2-bromo-4-fluoro-1-(trifluoromethoxy)benzene
InChI	InChI=1S/C7H3BrF4O/c8-5-3-4(9)1-2-6(5)13-7(10,11)12/h1-3H
InChI Key	TUMXMNZWNKIGIE-UHFFFAOYSA-N
MDL Number	MFCD11847187
Molecular Formula	C7H3BrF4O
Molecular Weight	258.9957
SMILES	BrC1=C(C=CC(=C1)F)OC(F)(F)F
Synonyms	2-BROMO-4-FLUORO-1-(TRIFLUOROMETHOXY)BENZENE, 866633-25-2, MFCD11847187, AK174327, SCHEMBL261397, DTXSID90697206, TUMXMNZWNKIGIE-UHFFFAOYSA-N, ZINC95147669, AKOS025396433, DS-8699, FCH1406456, SC-31627, DB-032079, CS-0028794, 1-Bromo-5-fluoro-2-(trifluoromethoxy)benzene, 2-(trifluoromethoxy)-5-fluoro-1-bromobenzene, Benzene, 2-bromo-4-fluoro-1-(trifluoromethoxy)-,

Complexity	172
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	3.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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