Name: Name:Acetic acid, (2-acetyl-4-bromophenoxy)-
Brand: Angene
SKU: AG00I6W4
Rating: 90 (10 reviews)

Acetic acid, (2-acetyl-4-bromophenoxy)-

CAS No.:

34849-51-9

Catalog Number:

AG00I6W4

Molecular Formula:

C10H9BrO4

Molecular Weight:

273.0801

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Product Description

Catalog Number:

AG00I6W4

Chemical Name:

Acetic acid, (2-acetyl-4-bromophenoxy)-

CAS Number:

34849-51-9

Molecular Formula:

C10H9BrO4

Molecular Weight:

273.0801

MDL Number:

MFCD27949767

IUPAC Name:

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

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)

InChI Key:

ZPKLKLLENLTZEX-UHFFFAOYSA-N

SMILES:

OC(=O)COc1ccc(cc1C(=O)C)Br

Properties

Complexity:

254

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

271.968g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

273.082g/mol

Monoisotopic Mass:

271.968g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9

Literature

Title	Journal
Novel selective orally active CRTH2 antagonists for allergic inflammation developed from in silico derived hits.	Journal of medicinal chemistry 20061116