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1955524-22-7 | 4-(5-iodo-1H-1,2,3-triazol-1-yl)piperidine
CAS No: 1955524-22-7 Catalog No: AG01B5P5 MDL No:MFCD30181177
Product Description
Catalog Number:
AG01B5P5
Chemical Name:
4-(5-iodo-1H-1,2,3-triazol-1-yl)piperidine
CAS Number:
1955524-22-7
Molecular Formula:
C7H11IN4
Molecular Weight:
278.0935
MDL Number:
MFCD30181177
IUPAC Name:
4-(5-iodotriazol-1-yl)piperidine
InChI:
InChI=1S/C7H11IN4/c8-7-5-10-11-12(7)6-1-3-9-4-2-6/h5-6,9H,1-4H2
InChI Key:
LPMQXUFRYRUIMY-UHFFFAOYSA-N
SMILES:
Ic1cnnn1C1CCNCC1
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.003g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.097g/mol
Monoisotopic Mass:
278.003g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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