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922174-07-0

922174-07-0 | Pyrrolidine, 2-(azidomethyl)-1-[(4-iodophenyl)methyl]-, (2S)-

CAS No: 922174-07-0 Catalog No: AG006F9I MDL No:

Product Description

Catalog Number:
AG006F9I
Chemical Name:
Pyrrolidine, 2-(azidomethyl)-1-[(4-iodophenyl)methyl]-, (2S)-
CAS Number:
922174-07-0
Molecular Formula:
C12H15IN4
Molecular Weight:
342.1788
IUPAC Name:
(2S)-2-(azidomethyl)-1-[(4-iodophenyl)methyl]pyrrolidine
InChI:
InChI=1S/C12H15IN4/c13-11-5-3-10(4-6-11)9-17-7-1-2-12(17)8-15-16-14/h3-6,12H,1-2,7-9H2/t12-/m0/s1
InChI Key:
XNCVOAYOVBEGGN-LBPRGKRZSA-N
SMILES:
[N-]=[N+]=NC[C@@H]1CCCN1Cc1ccc(cc1)I

Properties

Complexity:
282  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
342.034g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.184g/mol
Monoisotopic Mass:
342.034g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
17.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  

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