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16214-29-2

16214-29-2 | L-Proline, 4-chloro-, (4R)-

CAS No: 16214-29-2 Catalog No: AG001STC MDL No:

Product Description

Catalog Number:
AG001STC
Chemical Name:
L-Proline, 4-chloro-, (4R)-
CAS Number:
16214-29-2
Molecular Formula:
C5H8ClNO2
Molecular Weight:
149.5755
IUPAC Name:
(2S,4R)-4-chloropyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C5H8ClNO2/c6-3-1-4(5(8)9)7-2-3/h3-4,7H,1-2H2,(H,8,9)/t3-,4+/m1/s1
InChI Key:
UYZNMRJCNSDDFV-DMTCNVIQSA-N
SMILES:
OC(=O)[C@@H]1C[C@H](CN1)Cl

Properties

Complexity:
128  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
149.024g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
149.574g/mol
Monoisotopic Mass:
149.024g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.1  

Literature

Title Journal
Conformational preferences of 4-chloroproline residues. Biopolymers 20120801
4-chloroprolines: synthesis, conformational analysis, and effect on the collagen triple helix. Biopolymers 20080501

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