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100839-46-1 | 4-[2-(4-iodophenyl)ethyl]morpholine
CAS No: 100839-46-1 Catalog No: AG01B5EP MDL No:MFCD27940812
Product Description
Catalog Number:
AG01B5EP
Chemical Name:
4-[2-(4-iodophenyl)ethyl]morpholine
CAS Number:
100839-46-1
Molecular Formula:
C12H16INO
Molecular Weight:
317.1660
MDL Number:
MFCD27940812
IUPAC Name:
4-[2-(4-iodophenyl)ethyl]morpholine
InChI:
InChI=1S/C12H16INO/c13-12-3-1-11(2-4-12)5-6-14-7-9-15-10-8-14/h1-4H,5-10H2
InChI Key:
AKNWDQHNXHTDRO-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)CCN1CCOCC1
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:
3
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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