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Home Carboxys Trans-1-benzyl-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid

Trans-1-benzyl-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid

CAS No.:
80909-49-5
Catalog Number:
AG005IA6
Molecular Formula:
C18H18FNO2
Molecular Weight:
299.3394
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
≥ 96% (HPLC)
1 week
United States
$227
- +
250mg
≥ 96% (HPLC)
1 week
United States
$417
- +
1g
≥ 96% (HPLC)
1 week
United States
$757
- +
Product Description
Catalog Number:
AG005IA6
Chemical Name:
Trans-1-benzyl-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid
CAS Number:
80909-49-5
Molecular Formula:
C18H18FNO2
Molecular Weight:
299.3394
MDL Number:
MFCD09910402
IUPAC Name:
(3S,4R)-1-benzyl-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C18H18FNO2/c19-15-8-6-14(7-9-15)16-11-20(12-17(16)18(21)22)10-13-4-2-1-3-5-13/h1-9,16-17H,10-12H2,(H,21,22)/t16-,17+/m0/s1
InChI Key:
PBJFFDZRBFEUPB-DLBZAZTESA-N
SMILES:
OC(=O)[C@@H]1CN(C[C@H]1c1ccc(cc1)F)Cc1ccccc1
Properties
Complexity:
375  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
299.132g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
299.345g/mol
Monoisotopic Mass:
299.132g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties