Home Carboxys Boc-(+/-)-trans-4-(4-trifluoromethyl-phenyl)-pyrrolidine-3-carboxylic acid

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

CAS No.:
955137-85-6
Catalog Number:
AG006DBC
Molecular Formula:
C17H20F3NO4
Molecular Weight:
359.3402
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
≥ 98% (HPLC)
1 week
United States
$184
- +
250mg
≥ 98% (HPLC)
1 week
United States
$330
- +
1g
≥ 98% (HPLC)
1 week
United States
$608
- +
5g
≥ 98% (HPLC)
1 week
United States
$2289
- +
Product Description
Catalog Number:
AG006DBC
Chemical Name:
Boc-(+/-)-trans-4-(4-trifluoromethyl-phenyl)-pyrrolidine-3-carboxylic acid
CAS Number:
955137-85-6
Molecular Formula:
C17H20F3NO4
Molecular Weight:
359.3402
MDL Number:
MFCD02089478
IUPAC Name:
(3S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C17H20F3NO4/c1-16(2,3)25-15(24)21-8-12(13(9-21)14(22)23)10-4-6-11(7-5-10)17(18,19)20/h4-7,12-13H,8-9H2,1-3H3,(H,22,23)/t12-,13+/m0/s1
InChI Key:
QCXSJRUEERTHEK-QWHCGFSZSA-N
SMILES:
OC(=O)[C@@H]1CN(C[C@H]1c1ccc(cc1)C(F)(F)F)C(=O)OC(C)(C)C
Properties
Complexity:
507  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
359.134g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
359.345g/mol
Monoisotopic Mass:
359.134g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties