AG003KWJ

105529-58-6 | 4-Bromo-2-fluoro-1-(trifluoromethoxy)benzene

AG003KWJ

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CAS Number	105529-58-6
Catalog Number	AG003KWJ(AGN-PC-0KL1IT)
Chemical Name	4-Bromo-2-fluoro-1-(trifluoromethoxy)benzene
EC Number	430-850-1
IUPAC Name	4-bromo-2-fluoro-1-(trifluoromethoxy)benzene
InChI	InChI=1S/C7H3BrF4O/c8-4-1-2-6(5(9)3-4)13-7(10,11)12/h1-3H
InChI Key	SBSFDYRKNUCGBZ-UHFFFAOYSA-N
MDL Number	MFCD01861132
Molecular Formula	C7H3BrF4O
Molecular Weight	258.9957
SMILES	FC(F)(F)OC1=CC=C(Br)C=C1F
Synonyms	4-bromo-2-fluoro-1-(trifluoromethoxy)benzene, 105529-58-6, 1-bromo-3-fluoro-4-(trifluoromethoxy)benzene, 1-Bromo-3-fluoro-4-trifluoromethoxybenzene, 2-fluoro-4-bromotrifluoromethoxybenzene, 4-bromo-2-fluorotrifluoromethoxybenzene, Benzene, 4-bromo-2-fluoro-1-(trifluoromethoxy)-, 3-Fluoro-4-(trifluoromethoxy)bromobenzene, 4-Bromo-2-fluoro-1-trifluoromethoxybenzene, 3-BROMO-2-FLUOROTRIFLUOROMETHOXYBENZENE, MFCD01861132, 2-fluoro-4-bromo-(trifluoromethoxy)benzene, 4-bromo-2-fluoro-(trifluoromethoxy)benzene, 4-Bromo-2-fluorophenyl trifluoromethyl ether, 4-Bromo-alpha,alpha,alpha,2-tetrafluoroanisole, 2-Fluoro-4-bromotrifluoromethoxylphenol, PubChem14269, PubChem23179, AC1MD1TB, ACMC-2098gn, KSC495C5J, SCHEMBL425877, Bromofluorotrifluoromethoxybenzene, CTK3J5154, DTXSID20381984, SBSFDYRKNUCGBZ-UHFFFAOYSA-N, ACT00177, KS-00000D9R, ZINC2575686, ANW-15237, BBL100777, SBB102099, STL554571, AKOS005063470, 3-fluoro-4-trifluoromethoxybromobenzene, AB10109, AM61275, AS04757, AS05653, CB-2730, CM12099, CM12276, CS-W002836, EBD2217755, LF10293, PS-7378, RP29224, RTC-010836, TRA0084417, 3-fluoro-4-trifluoromethoxyphenylbromide, 3-fluoro-4-trifluoromethoxy bromobenzene, 4-bromo-2-fluoro-trifluoromethoxybenzene, 4-Bromo-|A,|A,|A,2-tetrafluoroanisole, AC-13879, AJ-42424, AK-41172, AN-16101, AN-49687, BC003839, BC004889, BR-41172, CJ-10082, SC-16848, SC-48252, SY020764, AB0051561, AB1010774, DB-019074, DB-023684, TC-010836, TL8000210, 4-Bromo-2-fluoro- (trifluoromethoxy)benzene, 4CH-009379, A1990, B3808, FT-0642599, FT-0654400, ST24028938, J3.496.410F, MFCD01861132 (97%), A-2842, 529B586, A810950, I01-0033, I01-7800, J-504423, 4-bromanyl-2-fluoranyl-1-(trifluoromethyloxy)benzene, 1,2-Dibromo-4-(trifluoromethoxy)benzene, 1682-06-0, ACN-056102, CID2782217, 4-Bromo-2-fluoro(trifluoromethoxy)benzene, 4-bromo-2-fluoro-3-(trifluoromethoxy)phenol, 1-Bromo-2-fluoro-3-(trifluoromethoxy)benzene, 1-Bromo-2-fluoro-4-(trifluoromethoxy)benzene, 4-Bromo-2-fluoro-1-(trifluoromethoxy)benzene, 98% - 1G 1g,

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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number