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138154-61-7 | 1-(2-Iodobenzyl)pyrrolidine
CAS No: 138154-61-7 Catalog No: AG01ETHU MDL No:
Product Description
Catalog Number:
AG01ETHU
Chemical Name:
1-(2-Iodobenzyl)pyrrolidine
CAS Number:
138154-61-7
Molecular Formula:
C11H14IN
Molecular Weight:
287.1400
IUPAC Name:
1-[(2-iodophenyl)methyl]pyrrolidine
InChI:
InChI=1S/C11H14IN/c12-11-6-2-1-5-10(11)9-13-7-3-4-8-13/h1-2,5-6H,3-4,7-9H2
InChI Key:
WGJITBHZDTYAFB-UHFFFAOYSA-N
SMILES:
Ic1ccccc1CN1CCCC1
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.017g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.144g/mol
Monoisotopic Mass:
287.017g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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