Name: Name:Benzeneacetic acid, 2-bromo-α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (αS)-
Brand: Angene
SKU: AG000JLB
Rating: 90 (10 reviews)

Benzeneacetic acid, 2-bromo-α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (αS)-

CAS No.:

1228547-87-2

Catalog Number:

AG000JLB

Molecular Formula:

C13H16BrNO4

Molecular Weight:

330.1744

Catalog Number:

AG000JLB

Chemical Name:

Benzeneacetic acid, 2-bromo-α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (αS)-

CAS Number:

1228547-87-2

Molecular Formula:

C13H16BrNO4

Molecular Weight:

330.1744

MDL Number:

MFCD07371725

IUPAC Name:

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

InChI:

InChI=1S/C13H16BrNO4/c1-13(2,3)19-12(18)15-10(11(16)17)8-6-4-5-7-9(8)14/h4-7,10H,1-3H3,(H,15,18)(H,16,17)/t10-/m0/s1

InChI Key:

XAAGWHKTRALRLO-JTQLQIEISA-N

SMILES:

O=C(OC(C)(C)C)N[C@@H](c1ccccc1Br)C(=O)O

Complexity:

340

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

329.026g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

330.178g/mol

Monoisotopic Mass:

329.026g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9