(2S)-2-(benzotriazol-1-yl)-2-(phenylmethoxycarbonylamino)acetic acid


Chemical Name: (2S)-2-(benzotriazol-1-yl)-2-(phenylmethoxycarbonylamino)acetic acid
CAS Number: 124676-19-3
Product Number: AG000MLQ(AGN-PC-05WL8U)
Synonyms:
MDL No:
Molecular Formula: C16H14N4O4
Molecular Weight: 326.3068

Identification/Properties


Computed Properties
Molecular Weight:
326.312g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
6
Exact Mass:
326.102g/mol
Monoisotopic Mass:
326.102g/mol
Topological Polar Surface Area:
106A^2
Heavy Atom Count:
24
Formal Charge:
0
Complexity:
455
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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