AG00IGPD

914635-64-6 | 2-Bromo-1-methoxy-3-(trifluoromethyl)benzene

AG00IGPD

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CAS Number	914635-64-6
Catalog Number	AG00IGPD(AGN-PC-0WD044)
Chemical Name	2-Bromo-1-methoxy-3-(trifluoromethyl)benzene
IUPAC Name	2-bromo-1-methoxy-3-(trifluoromethyl)benzene
InChI	InChI=1S/C8H6BrF3O/c1-13-6-4-2-3-5(7(6)9)8(10,11)12/h2-4H,1H3
InChI Key	PGUOFURUIKCHKC-UHFFFAOYSA-N
MDL Number	MFCD08059523
Molecular Formula	C8H6BrF3O
Molecular Weight	255.0318
SMILES	C(F)(F)(F)c1c(Br)c(OC)ccc1
Synonyms	2-Bromo-1-methoxy-3-(trifluoromethyl)benzene, 914635-64-6, 2-Bromo-3-(trifluoromethyl)anisole, CTK8C2808, DTXSID60650449, 2-Bromo-3-methoxybenzotrifluoride, 5349AC, ANW-69030, MFCD08059523, SBB101528, ZINC16158916, AKOS016006030, AM62542, NE18774, AJ-68595, TC-157775, CS-0061991, FT-0734933, 2-bromo-3-methoxy-1-(trifluoromethyl)benzene, C8H6BrF3O, ACN-056601,

Complexity	171
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	253.955g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	255.034g/mol
Monoisotopic Mass	253.955g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	9.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

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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