Home Nitriles (2S)-pyrrolidine-2-carbonitrile trifluoroacetate

(2S)-pyrrolidine-2-carbonitrile trifluoroacetate

CAS No.:
473797-71-6
Catalog Number:
AG00I8MZ
Molecular Formula:
C7H9F3N2O2
Molecular Weight:
210.1538
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Product Description
Catalog Number:
AG00I8MZ
Chemical Name:
(2S)-pyrrolidine-2-carbonitrile trifluoroacetate
CAS Number:
473797-71-6
Molecular Formula:
C7H9F3N2O2
Molecular Weight:
210.1538
MDL Number:
MFCD23703601
IUPAC Name:
(2S)-pyrrolidine-2-carbonitrile;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C5H8N2.C2HF3O2/c6-4-5-2-1-3-7-5;3-2(4,5)1(6)7/h5,7H,1-3H2;(H,6,7)/t5-;/m0./s1
InChI Key:
QROMHLFLMYDBEQ-JEDNCBNOSA-N
SMILES:
OC(=O)C(F)(F)F.N#C[C@@H]1CCCN1
Properties
Complexity:
183  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
210.062g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
210.156g/mol
Monoisotopic Mass:
210.062g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
73.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties