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918313-44-7

918313-44-7 | 1H-1,2,3-Triazole, 1-[(3S,5S)-5-(azidomethyl)-3-pyrrolidinyl]-4-phenyl-

CAS No: 918313-44-7 Catalog No: AG006GD2 MDL No:

Product Description

Catalog Number:
AG006GD2
Chemical Name:
1H-1,2,3-Triazole, 1-[(3S,5S)-5-(azidomethyl)-3-pyrrolidinyl]-4-phenyl-
CAS Number:
918313-44-7
Molecular Formula:
C13H15N7
Molecular Weight:
269.3051
IUPAC Name:
1-[(3S,5S)-5-(azidomethyl)pyrrolidin-3-yl]-4-phenyltriazole
InChI:
InChI=1S/C13H15N7/c14-18-16-7-11-6-12(8-15-11)20-9-13(17-19-20)10-4-2-1-3-5-10/h1-5,9,11-12,15H,6-8H2/t11-,12-/m0/s1
InChI Key:
YSWCCYHNAPHTHH-RYUDHWBXSA-N
SMILES:
[N-]=[N+]=NC[C@H]1NC[C@H](C1)n1nnc(c1)c1ccccc1

Properties

Complexity:
362  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
269.139g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
269.312g/mol
Monoisotopic Mass:
269.139g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
57.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

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