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254454-54-1 | 1-Boc-3-Iodoazetidine
CAS No: 254454-54-1 Catalog No: AG0032OT MDL No:MFCD09752821
Product Description
Catalog Number:
AG0032OT
Chemical Name:
1-Boc-3-Iodoazetidine
CAS Number:
254454-54-1
Molecular Formula:
C8H14INO2
Molecular Weight:
283.1067
MDL Number:
MFCD09752821
IUPAC Name:
tert-butyl 3-iodoazetidine-1-carboxylate
InChI:
InChI=1S/C8H14INO2/c1-8(2,3)12-7(11)10-4-6(9)5-10/h6H,4-5H2,1-3H3
InChI Key:
XPDIKRMPZNLBAC-UHFFFAOYSA-N
SMILES:
IC1CN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.007g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.109g/mol
Monoisotopic Mass:
283.007g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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