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1955514-49-4 | 3-[(4-iodophenyl)methyl]pyrrolidine hydrochloride
CAS No: 1955514-49-4 Catalog No: AG01B5RU MDL No:MFCD30181215
Product Description
Catalog Number:
AG01B5RU
Chemical Name:
3-[(4-iodophenyl)methyl]pyrrolidine hydrochloride
CAS Number:
1955514-49-4
Molecular Formula:
C11H15ClIN
Molecular Weight:
323.6010
MDL Number:
MFCD30181215
IUPAC Name:
3-[(4-iodophenyl)methyl]pyrrolidine;hydrochloride
InChI:
InChI=1S/C11H14IN.ClH/c12-11-3-1-9(2-4-11)7-10-5-6-13-8-10;/h1-4,10,13H,5-8H2;1H
InChI Key:
ILHGXTWOTXFNRC-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)CC1CNCC1.Cl
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.994g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
323.602g/mol
Monoisotopic Mass:
322.994g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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