AG001YEW

168971-68-4 | Benzene, 1-bromo-2-fluoro-4-(trifluoromethoxy)-

AG001YEW

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CAS Number	168971-68-4
Catalog Number	AG001YEW(AGN-PC-03JVOV)
Chemical Name	Benzene, 1-bromo-2-fluoro-4-(trifluoromethoxy)-
IUPAC Name	1-bromo-2-fluoro-4-(trifluoromethoxy)benzene
InChI	InChI=1S/C7H3BrF4O/c8-5-2-1-4(3-6(5)9)13-7(10,11)12/h1-3H
InChI Key	KZMHSGBETSENAT-UHFFFAOYSA-N
MDL Number	MFCD06657548
Molecular Formula	C7H3BrF4O
Molecular Weight	258.9957
SMILES	O(C(F)(F)F)c1cc(F)c(cc1)Br
Synonyms	1-Bromo-2-fluoro-4-(trifluoromethoxy)benzene, 168971-68-4, 4-Bromo-3-fluoro(trifluoromethoxy)benzene, 3-fluoro-4-bromobenzenetrifluoromethoxy, Benzene, 1-bromo-2-fluoro-4-(trifluoromethoxy)-, MFCD06657548, 4-bromo-3-fluoro-(trifluoromethoxy)benzene, PubChem1075, ACMC-1C50F, KSC498C3B, SCHEMBL518353, Jsp000518, Jsp003423, CTK3J8130, DTXSID90622230, KZMHSGBETSENAT-UHFFFAOYSA-N, ACT00202, AC-169, ANW-22384, ZINC21298222, AKOS005063667, AN-1817, AS04758, CB-2729, CS-W004979, GS-3294, LF10295, RP29223, RTR-007362, TRA0075074, VZ21239, 4-bromo-3-fluorotrifluoromethoxy-benzene, 2-fluoro-4-(trifluoromethoxy)bromobenzene, AJ-78176, AK-32215, BC002064, BC211676, BR-32215, CJ-16826, EN001511, I119, S515, SC-01625, SY013457, AB0013491, DB-005083, TL8001311, TR-007362, 4-Bromo-3-fluoro- (trifluoromethoxy)benzene, 4-bromo-3-fluorophenyl trifluoromethyl ether, A1543, FT-0600885, ST24032200, 1-bromo-2-fluoro-4-(trifluoromethoxy) benzene, B-3266, MFCD06657548 (97+%), 971B684, A801255, I01-2207, J-504394, 1-bromanyl-2-fluoranyl-4-(trifluoromethyloxy)benzene, C7H3BrF4O, ACN-056103, 1-bromo-3-fluoro-4-(trifluoromethoxy)benzene, 105529-58-6, 4-Bromo-3-fluorotrifluoromethoxybenzene - 5G 5g, (1-(5-CARBOXYPENTYL)-3,3-DIMETHYL-3H-INDOL-1-IUM-2-YL)METHANIDE HYDROBROMIDE,

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-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

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