Home Nitriles (2S,4S)-1-(2-Chloroacetyl)-4-fluoropyrrolidine-2-carbonitrile

(2S,4S)-1-(2-Chloroacetyl)-4-fluoropyrrolidine-2-carbonitrile

CAS No.:
596817-06-0
Catalog Number:
AG00F2U5
Molecular Formula:
C7H8ClFN2O
Molecular Weight:
190.6026
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
500mg
95%
In Stock USA
United States
$660
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Product Description
Catalog Number:
AG00F2U5
Chemical Name:
(2S,4S)-1-(2-Chloroacetyl)-4-fluoropyrrolidine-2-carbonitrile
CAS Number:
596817-06-0
Molecular Formula:
C7H8ClFN2O
Molecular Weight:
190.6026
MDL Number:
MFCD23703205
IUPAC Name:
(2S,4S)-1-(2-chloroacetyl)-4-fluoropyrrolidine-2-carbonitrile
InChI:
InChI=1S/C7H8ClFN2O/c8-2-7(12)11-4-5(9)1-6(11)3-10/h5-6H,1-2,4H2/t5-,6-/m0/s1
InChI Key:
DMQSZIMWOFNPNR-WDSKDSINSA-N
SMILES:
F[C@@H]1CN([C@@H](C1)C#N)C(=O)CCl
Properties
Complexity:
237  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
190.031g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.602g/mol
Monoisotopic Mass:
190.031g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties