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Boc-(+/-)-trans-4-(2-fluoro-phenyl)-pyrrolidine-3-carboxylic acid

CAS No.:
959581-02-3
Catalog Number:
AG00IJN4
Molecular Formula:
C16H20FNO4
Molecular Weight:
309.3327
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
≥ 99% (HPLC)
1 week
United States
$118
- +
250mg
≥ 99% (HPLC)
1 week
United States
$177
- +
1g
≥ 99% (HPLC)
1 week
United States
$564
- +
5g
≥ 99% (HPLC)
1 week
United States
$2143
- +
Product Description
Catalog Number:
AG00IJN4
Chemical Name:
Boc-(+/-)-trans-4-(2-fluoro-phenyl)-pyrrolidine-3-carboxylic acid
CAS Number:
959581-02-3
Molecular Formula:
C16H20FNO4
Molecular Weight:
309.3327
MDL Number:
MFCD06659256
IUPAC Name:
(3S,4R)-4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C16H20FNO4/c1-16(2,3)22-15(21)18-8-11(12(9-18)14(19)20)10-6-4-5-7-13(10)17/h4-7,11-12H,8-9H2,1-3H3,(H,19,20)/t11-,12+/m0/s1
InChI Key:
LNANJBYDRSFKDR-NWDGAFQWSA-N
SMILES:
O=C(N1C[C@H]([C@@H](C1)c1ccccc1F)C(=O)O)OC(C)(C)C
Properties
Complexity:
434  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
309.138g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
309.337g/mol
Monoisotopic Mass:
309.138g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties