Name: Name:Propanoic acid, 2-methyl-, (2S)-4-(2,4-difluorophenyl)-2-(hydroxymethyl)-4-penten-1-yl ester
Brand: Angene
SKU: AG002FZ9
Rating: 90 (10 reviews)

Propanoic acid, 2-methyl-, (2S)-4-(2,4-difluorophenyl)-2-(hydroxymethyl)-4-penten-1-yl ester

CAS No.:

192448-07-0

Catalog Number:

AG002FZ9

Molecular Formula:

C16H20F2O3

Molecular Weight:

298.3250

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

250mg

95%

In Stock USA

United States

$454

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Catalog Number:

AG002FZ9

Chemical Name:

Propanoic acid, 2-methyl-, (2S)-4-(2,4-difluorophenyl)-2-(hydroxymethyl)-4-penten-1-yl ester

CAS Number:

192448-07-0

Molecular Formula:

C16H20F2O3

Molecular Weight:

298.3250

MDL Number:

MFCD31656870

IUPAC Name:

[(2S)-4-(2,4-difluorophenyl)-2-(hydroxymethyl)pent-4-enyl] 2-methylpropanoate

InChI:

InChI=1S/C16H20F2O3/c1-10(2)16(20)21-9-12(8-19)6-11(3)14-5-4-13(17)7-15(14)18/h4-5,7,10,12,19H,3,6,8-9H2,1-2H3/t12-/m0/s1

InChI Key:

JACXDHBRMMEIGY-LBPRGKRZSA-N

SMILES:

OC[C@H](CC(=C)c1ccc(cc1F)F)COC(=O)C(C)C

Complexity:

357

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

298.138g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

298.33g/mol

Monoisotopic Mass:

298.138g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.9