Home Halogens Boc-(+/-)-trans-4-(2-chloro-phenyl)-pyrrolidine-3-carboxylic acid

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

CAS No.:
1212102-71-0
Catalog Number:
AG009WO0
Molecular Formula:
C16H20ClNO4
Molecular Weight:
325.7873
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$175
- +
1g
95%
In Stock USA
United States
$457
- +
5g
95%
In Stock USA
United States
$1500
- +
Product Description
Catalog Number:
AG009WO0
Chemical Name:
Boc-(+/-)-trans-4-(2-chloro-phenyl)-pyrrolidine-3-carboxylic acid
CAS Number:
1212102-71-0
Molecular Formula:
C16H20ClNO4
Molecular Weight:
325.7873
MDL Number:
MFCD01862544
IUPAC Name:
(3R,4S)-4-(2-chlorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C16H20ClNO4/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+/m1/s1
InChI Key:
PGJXFBYJBMDMRZ-NEPJUHHUSA-N
SMILES:
O=C(N1C[C@H]([C@@H](C1)c1ccccc1Cl)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:
325.108g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
325.789g/mol
Monoisotopic Mass:
325.108g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties