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877399-73-0 | 1-Boc-4-(4-Iodo-1H-pyrazol-1-yl);piperidine
CAS No: 877399-73-0 Catalog No: AG004LNS MDL No:MFCD12913927
Product Description
Catalog Number:
AG004LNS
Chemical Name:
1-Boc-4-(4-Iodo-1H-pyrazol-1-yl);piperidine
CAS Number:
877399-73-0
Molecular Formula:
C13H20IN3O2
Molecular Weight:
377.2213
MDL Number:
MFCD12913927
IUPAC Name:
tert-butyl 4-(4-iodopyrazol-1-yl)piperidine-1-carboxylate
InChI:
InChI=1S/C13H20IN3O2/c1-13(2,3)19-12(18)16-6-4-11(5-7-16)17-9-10(14)8-15-17/h8-9,11H,4-7H2,1-3H3
InChI Key:
IONGFFYQZADMPH-UHFFFAOYSA-N
SMILES:
Ic1cnn(c1)C1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.06g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
377.226g/mol
Monoisotopic Mass:
377.06g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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