Methyl 2- (2,4-dibromophenyl) acetate

CAT: 0127-OR1093346-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1093346-01Size:250 mg

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CAS Number

66247-65-2

Purity

95%

Smiles

C1cc (cc (c1CC (=O) OC) Br) Br

Chemical Information

Methyl 2,4-dibromophenylacetate

CAS Number	66247-65-2
PubChem CID	13655377
IUPAC Name	methyl 2-(2,4-dibromophenyl)acetate
Molecular Formula	C9H8Br2O2
Molecular Weight	307.97
XLogP	3.1
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	184

SMILES

COC(=O)CC1=C(C=C(C=C1)Br)Br

InChI

InChI=1S/C9H8Br2O2/c1-13-9(12)4-6-2-3-7(10)5-8(6)11/h2-3,5H,4H2,1H3

InChIKey

YZPNYLPAGHAAPJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 66247-65-2

CID: 13655377

Formula: C9H8Br2O2

MW: 307.97

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	307.97
XLogP3	3.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	307.88706
Monoisotopic Mass	305.88910
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	184
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1035271-01	Methyl 2- (3,5-dibromophenyl) acetate
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OR1044396-01	2- (2,4-Dibromophenyl) acetonitrile
OR1101692	4- (2,4-Dibromophenyl) piperidine
OR6741-01	3,5-Dibromophenyl acetate
OR1088142-01	1- (3,4-Dibromophenyl) -2-methyl-1-propanone
OR80040-01	Methyl 2- (2,5-dibromophenyl) -2-oxoacetate
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OR1040174-01	Methyl 2- (2,4-Dimethoxyphenyl) acetate
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Catalog	Name
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