3-Pyrrolidinecarboxylicacid, 4-(3-chlorophenyl)-, (3S,4R)-


Chemical Name: 3-Pyrrolidinecarboxylicacid, 4-(3-chlorophenyl)-, (3S,4R)-
CAS Number: 1047651-80-8
Product Number: AG0085PB(AGN-PC-0NVVV4)
Synonyms:
MDL No:
Molecular Formula: C11H12ClNO2
Molecular Weight: 225.6715

Identification/Properties


Computed Properties
Molecular Weight:
225.672g/mol
XLogP3:
-0.8
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
225.056g/mol
Monoisotopic Mass:
225.056g/mol
Topological Polar Surface Area:
49.3A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
247
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
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-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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