Home Halogens rac-methyl (3R,4S)-1-benzyl-4-(4-chlorophenyl)pyrrolidine-3-carboxylate, trans

rac-methyl (3R,4S)-1-benzyl-4-(4-chlorophenyl)pyrrolidine-3-carboxylate, trans

CAS No.:
1807939-99-6
Catalog Number:
AG01BND7
Molecular Formula:
C19H20ClNO2
Molecular Weight:
329.8206
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Product Description
Catalog Number:
AG01BND7
Chemical Name:
rac-methyl (3R,4S)-1-benzyl-4-(4-chlorophenyl)pyrrolidine-3-carboxylate, trans
CAS Number:
1807939-99-6
Molecular Formula:
C19H20ClNO2
Molecular Weight:
329.8206
MDL Number:
MFCD13195153
IUPAC Name:
methyl (3S,4R)-1-benzyl-4-(4-chlorophenyl)pyrrolidine-3-carboxylate
InChI:
InChI=1S/C19H20ClNO2/c1-23-19(22)18-13-21(11-14-5-3-2-4-6-14)12-17(18)15-7-9-16(20)10-8-15/h2-10,17-18H,11-13H2,1H3/t17-,18+/m0/s1
InChI Key:
JLPPICQAWSOLCD-ZWKOTPCHSA-N
SMILES:
COC(=O)[C@@H]1CN(C[C@H]1c1ccc(cc1)Cl)Cc1ccccc1
Properties
Complexity:
389  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
329.118g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.824g/mol
Monoisotopic Mass:
329.118g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties