Name: Name:[1,1'-Biphenyl]-4-acetic acid, 2-fluoro-a-methyl-, methyl ester
Brand: Angene
SKU: AG006PKU
Rating: 90 (10 reviews)

[1,1'-Biphenyl]-4-acetic acid, 2-fluoro-a-methyl-, methyl ester

CAS No.:

66202-86-6

Catalog Number:

AG006PKU

Molecular Formula:

C16H15FO2

Molecular Weight:

258.2875

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

10mg

95%

In Stock USA

United States

$74

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Product Description

Catalog Number:

AG006PKU

Chemical Name:

[1,1'-Biphenyl]-4-acetic acid, 2-fluoro-a-methyl-, methyl ester

CAS Number:

66202-86-6

Molecular Formula:

C16H15FO2

Molecular Weight:

258.2875

MDL Number:

MFCD00871005

IUPAC Name:

methyl 2-(3-fluoro-4-phenylphenyl)propanoate

InChI:

InChI=1S/C16H15FO2/c1-11(16(18)19-2)13-8-9-14(15(17)10-13)12-6-4-3-5-7-12/h3-11H,1-2H3

InChI Key:

CPJBKHZROFMSQM-UHFFFAOYSA-N

SMILES:

COC(=O)C(c1ccc(c(c1)F)c1ccccc1)C

Properties

Complexity:

299

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

258.106g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

258.292g/mol

Monoisotopic Mass:

258.106g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.5

Literature

Title	Journal
Manipulation of kinetic profiles in 2-aryl propionic acid cyclooxygenase inhibitors.	Bioorganic & medicinal chemistry letters 20040209

Properties