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2138425-54-2

2138425-54-2 | 1-(azetidin-3-yl)-5-iodo-1H-1,2,3-triazole dihydrochloride

CAS No: 2138425-54-2 Catalog No: AG01ELH9 MDL No:MFCD31421754

Product Description

Catalog Number:
AG01ELH9
Chemical Name:
1-(azetidin-3-yl)-5-iodo-1H-1,2,3-triazole dihydrochloride
CAS Number:
2138425-54-2
Molecular Formula:
C5H9Cl2IN4
Molecular Weight:
322.9622
MDL Number:
MFCD31421754
IUPAC Name:
1-(azetidin-3-yl)-5-iodotriazole;dihydrochloride
InChI:
InChI=1S/C5H7IN4.2ClH/c6-5-3-8-9-10(5)4-1-7-2-4;;/h3-4,7H,1-2H2;2*1H
InChI Key:
BXYFPIHUIPIIOW-UHFFFAOYSA-N
SMILES:
Ic1cnnn1C1CNC1.Cl.Cl

Properties

Complexity:
127  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.925g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
322.959g/mol
Monoisotopic Mass:
321.925g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
42.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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