1,2-Pyrrolidinedicarboxylicacid, 2-[(4-fluorophenyl)methyl]-, 1-(1,1-dimethylethyl) ester, (2S)-


Chemical Name: 1,2-Pyrrolidinedicarboxylicacid, 2-[(4-fluorophenyl)methyl]-, 1-(1,1-dimethylethyl) ester, (2S)-
CAS Number: 706806-65-7
Product Number: AG003OF5(AGN-PC-0TYFK3)
Synonyms:
MDL No:
Molecular Formula: C17H22FNO4
Molecular Weight: 323.3593

Identification/Properties


Properties
BP:
447.4 °C at 760 mmHg
Storage:
2-8℃;
Computed Properties
Molecular Weight:
323.364g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
5
Exact Mass:
323.153g/mol
Monoisotopic Mass:
323.153g/mol
Topological Polar Surface Area:
66.8A^2
Heavy Atom Count:
23
Formal Charge:
0
Complexity:
454
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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