Home Nitros rac-(3R,4S)-1-benzyl-3-(3-fluorophenyl)-4-nitropyrrolidine, trans

rac-(3R,4S)-1-benzyl-3-(3-fluorophenyl)-4-nitropyrrolidine, trans

CAS No.:
1909288-50-1
Catalog Number:
AG01C2LE
Molecular Formula:
C17H17FN2O2
Molecular Weight:
300.3275
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Product Description
Catalog Number:
AG01C2LE
Chemical Name:
rac-(3R,4S)-1-benzyl-3-(3-fluorophenyl)-4-nitropyrrolidine, trans
CAS Number:
1909288-50-1
Molecular Formula:
C17H17FN2O2
Molecular Weight:
300.3275
MDL Number:
MFCD28016297
IUPAC Name:
(3R,4S)-1-benzyl-3-(3-fluorophenyl)-4-nitropyrrolidine
InChI:
InChI=1S/C17H17FN2O2/c18-15-8-4-7-14(9-15)16-11-19(12-17(16)20(21)22)10-13-5-2-1-3-6-13/h1-9,16-17H,10-12H2/t16-,17+/m0/s1
InChI Key:
REGUWZVPUVLAMT-DLBZAZTESA-N
SMILES:
Fc1cccc(c1)[C@@H]1CN(C[C@H]1[N+](=O)[O-])Cc1ccccc1
Properties
Complexity:
381  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
300.127g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.333g/mol
Monoisotopic Mass:
300.127g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties