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857532-02-6 | Morpholine, 2-(4-chlorophenyl)-2-(4-iodophenyl)-
CAS No: 857532-02-6 Catalog No: AG004RZE MDL No:
Product Description
Catalog Number:
AG004RZE
Chemical Name:
Morpholine, 2-(4-chlorophenyl)-2-(4-iodophenyl)-
CAS Number:
857532-02-6
Molecular Formula:
C16H15ClINO
Molecular Weight:
399.6539
IUPAC Name:
2-(4-chlorophenyl)-2-(4-iodophenyl)morpholine
InChI:
InChI=1S/C16H15ClINO/c17-14-5-1-12(2-6-14)16(11-19-9-10-20-16)13-3-7-15(18)8-4-13/h1-8,19H,9-11H2
InChI Key:
XMRGJITVFDERNT-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C1(OCCNC1)c1ccc(cc1)I
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.989g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
399.656g/mol
Monoisotopic Mass:
398.989g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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