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1158764-61-4 | 3-[(4-iodophenyl)methyl]pyrrolidine
CAS No: 1158764-61-4 Catalog No: AG01B5RV MDL No:MFCD07383425
Product Description
Catalog Number:
AG01B5RV
Chemical Name:
3-[(4-iodophenyl)methyl]pyrrolidine
CAS Number:
1158764-61-4
Molecular Formula:
C11H14IN
Molecular Weight:
287.1400
MDL Number:
MFCD07383425
IUPAC Name:
3-[(4-iodophenyl)methyl]pyrrolidine
InChI:
InChI=1S/C11H14IN/c12-11-3-1-9(2-4-11)7-10-5-6-13-8-10/h1-4,10,13H,5-8H2
InChI Key:
VFSRSAITYPSBRB-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)CC1CNCC1
Properties
Complexity:
152
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:
1
Isotope Atom Count:
0
Molecular Weight:
287.144g/mol
Monoisotopic Mass:
287.017g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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