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554430-67-0 | 1-(2-(4-iodophenoxy)ethyl)pyrrolidine
CAS No: 554430-67-0 Catalog No: AG00DJPA MDL No:MFCD14646677
Product Description
Catalog Number:
AG00DJPA
Chemical Name:
1-(2-(4-iodophenoxy)ethyl)pyrrolidine
CAS Number:
554430-67-0
Molecular Formula:
C12H16INO
Molecular Weight:
317.1660
MDL Number:
MFCD14646677
IUPAC Name:
1-[2-(4-iodophenoxy)ethyl]pyrrolidine
InChI:
InChI=1S/C12H16INO/c13-11-3-5-12(6-4-11)15-10-9-14-7-1-2-8-14/h3-6H,1-2,7-10H2
InChI Key:
CWRJPBXIVVHQOC-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)OCCN1CCCC1
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.028g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.17g/mol
Monoisotopic Mass:
317.028g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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