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Home Carboxys Methyl trans-1-benzyl-4-(3-fluorophenyl)pyrrolidine-3-carboxylate;

Methyl trans-1-benzyl-4-(3-fluorophenyl)pyrrolidine-3-carboxylate;

CAS No.:
698358-91-7
Catalog Number:
AG00FGYZ
Molecular Formula:
C19H20FNO2
Molecular Weight:
313.3660
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$400
- +
5g
97%
In Stock USA
United States
$1225
- +
Product Description
Catalog Number:
AG00FGYZ
Chemical Name:
Methyl trans-1-benzyl-4-(3-fluorophenyl)pyrrolidine-3-carboxylate;
CAS Number:
698358-91-7
Molecular Formula:
C19H20FNO2
Molecular Weight:
313.3660
MDL Number:
MFCD13190638
IUPAC Name:
methyl 1-benzyl-4-(3-fluorophenyl)pyrrolidine-3-carboxylate
InChI:
InChI=1S/C19H20FNO2/c1-23-19(22)18-13-21(11-14-6-3-2-4-7-14)12-17(18)15-8-5-9-16(20)10-15/h2-10,17-18H,11-13H2,1H3
InChI Key:
GJPDRAYPGFFTGY-UHFFFAOYSA-N
SMILES:
COC(=O)[C@@H]1CN(C[C@H]1c1cccc(c1)F)Cc1ccccc1
Properties
Complexity:
397  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.148g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.372g/mol
Monoisotopic Mass:
313.148g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties