AG00DLEM

455957-76-3 | Methyl 2-(2-bromo-5-chlorophenyl)acetate

AG00DLEM

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CAS Number	455957-76-3
Catalog Number	AG00DLEM(AGN-PC-0WD0LO)
Chemical Name	Methyl 2-(2-bromo-5-chlorophenyl)acetate
IUPAC Name	methyl 2-(2-bromo-5-chlorophenyl)acetate
InChI	InChI=1S/C9H8BrClO2/c1-13-9(12)5-6-4-7(11)2-3-8(6)10/h2-4H,5H2,1H3
InChI Key	LJOPBOWSUDRXSV-UHFFFAOYSA-N
MDL Number	MFCD18398721
Molecular Formula	C9H8BrClO2
Molecular Weight	263.5156
SMILES	COC(=O)CC1=C(Br)C=CC(Cl)=C1
Synonyms	Methyl 2-(2-bromo-5-chlorophenyl)acetate, 455957-76-3, Methyl 2-bromo-5-chlorophenylacetate, methyl (2-bromo-5-chlorophenyl)acetate, SCHEMBL4635493, DTXSID70627228, LJOPBOWSUDRXSV-UHFFFAOYSA-N, 6285AB, MFCD18398721, ZINC85210424, Methyl(2-Bromo-5-Chlorophenyl)Acetate, AS-46350, AJ-126573, FT-0758163, 2-bromo-5-chlorobenzeneacetic acid methyl ester, Benzeneacetic acid, 2-bromo-5-chloro-, methyl ester, C9H8BrClO2, Methyl2-(2-bromo-5-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
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

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