2- (2-acetyl-4-bromophenoxy) acetic acid

CAT: 0926-JBA84951-01Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-JBA84951-01Size:0.5 g

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CAS Number

34849-51-9

MDL Number

MFCD27949767

Smiles

CC (=O) c1cc (Br) ccc1OCC (=O) O

Molecular Formula

C10H9BrO4

Molecular Weight

273.1 g/mol

Controlled

Chemical Information

2-(2-Acetyl-4-bromophenoxy)acetic acid

CAS Number	34849-51-9
PubChem CID	19261363
IUPAC Name	2-(2-acetyl-4-bromophenoxy)acetic acid
Molecular Formula	C10H9BrO4
Molecular Weight	273.08
XLogP	1.9
Topological Polar Surface Area	63.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	15
Formal Charge	0
Complexity	254

SMILES

CC(=O)C1=C(C=CC(=C1)Br)OCC(=O)O

InChI

InChI=1S/C10H9BrO4/c1-6(12)8-4-7(11)2-3-9(8)15-5-10(13)14/h2-4H,5H2,1H3,(H,13,14)

InChIKey

ZPKLKLLENLTZEX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 34849-51-9

CID: 19261363

Formula: C10H9BrO4

MW: 273.08

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	273.08
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	271.96842
Monoisotopic Mass	271.96842
Topological Polar Surface Area	63.6 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	254
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
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Catalog	Name
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OR111600	(2-Acetyl-4-chlorophenoxy) acetic acid
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OR1057276-01	2- (4-Acetyl-2-methoxyphenoxy) acetic acid