AG005BKC

773874-13-8 | Methyl 5-bromo-2-(trifluoromethoxy)benzoate

AG005BKC

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CAS Number	773874-13-8
Catalog Number	AG005BKC(AGN-PC-0NG7OI)
Chemical Name	Methyl 5-bromo-2-(trifluoromethoxy)benzoate
IUPAC Name	methyl 5-bromo-2-(trifluoromethoxy)benzoate
InChI	InChI=1S/C9H6BrF3O3/c1-15-8(14)6-4-5(10)2-3-7(6)16-9(11,12)13/h2-4H,1H3
InChI Key	RLAXIDPRPKZATK-UHFFFAOYSA-N
MDL Number	MFCD06203799
Molecular Formula	C9H6BrF3O3
Molecular Weight	299.0413
SMILES	O=C(OC)C1=CC(Br)=CC=C1OC(F)(F)F
Synonyms	Methyl 5-bromo-2-(trifluoromethoxy)benzoate, 773874-13-8, 5-bromo-2-(trifluoromethoxy)benzoic acid methyl ester, ACMC-209p9s, SCHEMBL3943968, CTK8B2309, DTXSID80455953, RLAXIDPRPKZATK-UHFFFAOYSA-N, ANW-37022, MFCD06203799, ZINC38274439, AKOS015852253, AJ-94884, AK-61942, SC-42073, AB0000126, AX8218103, ST2402001, TC-067006, 4CH-019399, CS-0084300, FT-0652950, W8397, A-2973, methyl 5-bromanyl-2-(trifluoromethyloxy)benzoate, A839080, 3-Bromo-6-trifluoromethoxy-benzoic acid methyl ester, 5-Bromo-2-trifluoromethoxy-benzoic acid methyl ester, I14-5160, Benzoic acid, 5-bromo-2-(trifluoromethoxy)-, methyl ester, C9H6BrF3O3, 2-bromo-5-(trifluoromethoxy)benzoic Acid, CID11120089, Methyl5-bromo-2-(trifluoromethoxy)benzoate,

Complexity	257
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	297.945g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	299.043g/mol
Monoisotopic Mass	297.945g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.6

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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