AG007V05

169247-46-5 | Benzene, 4-​bromo-​1-​(phenylmethoxy)​-​2-​(trifluoromethyl)​-

AG007V05

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CAS Number	169247-46-5
Catalog Number	AG007V05(AGN-PC-0WAJ2A)
Chemical Name	Benzene, 4-​bromo-​1-​(phenylmethoxy)​-​2-​(trifluoromethyl)​-
IUPAC Name	4-bromo-1-phenylmethoxy-2-(trifluoromethyl)benzene
InChI	InChI=1S/C14H10BrF3O/c15-11-6-7-13(12(8-11)14(16,17)18)19-9-10-4-2-1-3-5-10/h1-8H,9H2
InChI Key	QTPKEFVNEOEGGH-UHFFFAOYSA-N
MDL Number	MFCD12913506
Molecular Formula	C14H10BrF3O
Molecular Weight	331.1278
SMILES	O(Cc1ccccc1)c1c(C(F)(F)F)cc(cc1)Br
Synonyms	1-(Benzyloxy)-4-bromo-2-(trifluoromethyl)benzene, 169247-46-5, 2-(benzyloxy)-5-bromo-1-trifluoromethylbenzene, Benzyl 4-bromo-2-(trifluoromethyl)phenyl ether, AK102973, SCHEMBL3726426, CTK8C0756, KS-00000QAW, DTXSID90595192, QTPKEFVNEOEGGH-UHFFFAOYSA-N, 8660AA, ANW-65228, MFCD12913506, ZINC59650530, AKOS016005164, DS-3990, RL02178, AJ-113571, AX8234512, DB-027469, TC-153973, 4-bromo-2-trifluoromethyl-1-benzyloxybenzene, ST24037552, TL80090418, J-506240, C14H10BrF3O, ACN-046648, N/A,

Complexity	276
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	329.987g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	331.132g/mol
Monoisotopic Mass	329.987g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	9.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5

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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