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858676-60-5 | 1-(4-IODOBENZYL)PYRROLIDINE
CAS No: 858676-60-5 Catalog No: AG00G4IP MDL No:MFCD07775752
Product Description
Catalog Number:
AG00G4IP
Chemical Name:
1-(4-IODOBENZYL)PYRROLIDINE
CAS Number:
858676-60-5
Molecular Formula:
C11H14IN
Molecular Weight:
287.1400
MDL Number:
MFCD07775752
IUPAC Name:
1-[(4-iodophenyl)methyl]pyrrolidine
InChI:
InChI=1S/C11H14IN/c12-11-5-3-10(4-6-11)9-13-7-1-2-8-13/h3-6H,1-2,7-9H2
InChI Key:
RDHZJYCRHTZBIX-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)CN1CCCC1
Properties
Complexity:
146
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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