Home Nitros rac-(3R,4S)-1-benzyl-3-(2-fluorophenyl)-4-nitropyrrolidine, trans

rac-(3R,4S)-1-benzyl-3-(2-fluorophenyl)-4-nitropyrrolidine, trans

CAS No.:
1909293-67-9
Catalog Number:
AG01C33W
Molecular Formula:
C17H17FN2O2
Molecular Weight:
300.3275
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Product Description
Catalog Number:
AG01C33W
Chemical Name:
rac-(3R,4S)-1-benzyl-3-(2-fluorophenyl)-4-nitropyrrolidine, trans
CAS Number:
1909293-67-9
Molecular Formula:
C17H17FN2O2
Molecular Weight:
300.3275
MDL Number:
MFCD28016294
IUPAC Name:
(3R,4S)-1-benzyl-3-(2-fluorophenyl)-4-nitropyrrolidine
InChI:
InChI=1S/C17H17FN2O2/c18-16-9-5-4-8-14(16)15-11-19(12-17(15)20(21)22)10-13-6-2-1-3-7-13/h1-9,15,17H,10-12H2/t15-,17+/m0/s1
InChI Key:
JGEJNSUYFKBRNM-DOTOQJQBSA-N
SMILES:
[O-][N+](=O)[C@@H]1CN(C[C@H]1c1ccccc1F)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