AG0028TZ

203314-33-4 | Benzeneacetic acid, 5-bromo-2-chloro-, methyl ester

AG0028TZ

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CAS Number	203314-33-4
Catalog Number	AG0028TZ(AGN-PC-07AN6B)
Chemical Name	Benzeneacetic acid, 5-bromo-2-chloro-, methyl ester
IUPAC Name	methyl 2-(5-bromo-2-chlorophenyl)acetate
InChI	InChI=1S/C9H8BrClO2/c1-13-9(12)5-6-4-7(10)2-3-8(6)11/h2-4H,5H2,1H3
InChI Key	GINLBXIFGQVBHL-UHFFFAOYSA-N
MDL Number	MFCD16038439
Molecular Formula	C9H8BrClO2
Molecular Weight	263.5156
SMILES	COC(=O)CC1=C(Cl)C=CC(Br)=C1
Synonyms	Methyl 2-(5-bromo-2-chlorophenyl)acetate, 203314-33-4, AK103146, Benzeneacetic acid, 5-bromo-2-chloro-, methyl ester, SCHEMBL15055959, CTK8C0672, KS-00000QBS, DTXSID80668228, 0415AB, ANW-65070, MFCD16038439, ZINC55161647, AKOS015890429, CS-W022785, DS-4026, FCH1391743, Methyl (5-bromo-2-chlorophenyl)acetate, AJ-112644, AX8234685, ST2413257, TC-153815, 4CH-016364, FT-0763901, I01-6476, C9H8BrClO2, Methyl2-(5-bromo-2-chlorophenyl)acetate,

Complexity	187
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	261.94g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	263.515g/mol
Monoisotopic Mass	261.94g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

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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