AG000RXM

1261669-52-6 | 4-Bromo-3,5-bis(trifluoromethyl)anisole

AG000RXM

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CAS Number	1261669-52-6
Catalog Number	AG000RXM(AGN-PC-0JK2EQ)
Chemical Name	4-Bromo-3,5-bis(trifluoromethyl)anisole
IUPAC Name	2-bromo-5-methoxy-1,3-bis(trifluoromethyl)benzene
InChI	InChI=1S/C9H5BrF6O/c1-17-4-2-5(8(11,12)13)7(10)6(3-4)9(14,15)16/h2-3H,1H3
InChI Key	XKNXVRHDVZGFOC-UHFFFAOYSA-N
MDL Number	MFCD18390183
Molecular Formula	C9H5BrF6O
Molecular Weight	323.0298
SMILES	COC1C=C(C(F)(F)F)C(Br)=C(C(F)(F)F)C=1
Synonyms	4-BROMO-3,5-BIS(TRIFLUOROMETHYL)ANISOLE, 1261669-52-6, 2-bromo-5-methoxy-1,3-bis(trifluoromethyl)benzene, CL8605, MFCD18390183, ZINC91692989, 3,5-Bis(trifluoromethyl)-4-bromoanisole, AS-46057, AX8267147, X-1312, Benzene, 2-bromo-5-methoxy-1,3-bis(trifluoromethyl)-, N/A,

Complexity	239
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	321.943g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	323.032g/mol
Monoisotopic Mass	321.943g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	9.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

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