Name: Name:Benzeneacetic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-4-fluoro-, (αS)-
Brand: Angene
SKU: AG001HXO
Rating: 90 (10 reviews)

Benzeneacetic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-4-fluoro-, (αS)-

CAS No.:

142186-36-5

Catalog Number:

AG001HXO

Molecular Formula:

C13H16FNO4

Molecular Weight:

269.2688

Catalog Number:

AG001HXO

Chemical Name:

Benzeneacetic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-4-fluoro-, (αS)-

CAS Number:

142186-36-5

Molecular Formula:

C13H16FNO4

Molecular Weight:

269.2688

MDL Number:

MFCD01320862

IUPAC Name:

(2S)-2-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid

InChI:

InChI=1S/C13H16FNO4/c1-13(2,3)19-12(18)15-10(11(16)17)8-4-6-9(14)7-5-8/h4-7,10H,1-3H3,(H,15,18)(H,16,17)/t10-/m0/s1

InChI Key:

IEQBOUSLFRLKKX-JTQLQIEISA-N

SMILES:

OC(=O)[C@H](c1ccc(cc1)F)NC(=O)OC(C)(C)C

Complexity:

332

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

269.106g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

269.272g/mol

Monoisotopic Mass:

269.106g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3