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915095-87-3 | (S)-(2-Chloro-5-iodophenyl)(4-((tetrahydrofuran-3-yl)oxy)phenyl)methanone
CAS No: 915095-87-3 Catalog No: AG00393H MDL No:MFCD22665921
Product Description
Catalog Number:
AG00393H
Chemical Name:
(S)-(2-Chloro-5-iodophenyl)(4-((tetrahydrofuran-3-yl)oxy)phenyl)methanone
CAS Number:
915095-87-3
Molecular Formula:
C17H14ClIO3
Molecular Weight:
428.6487
MDL Number:
MFCD22665921
IUPAC Name:
(2-chloro-5-iodophenyl)-[4-[(3S)-oxolan-3-yl]oxyphenyl]methanone
InChI:
InChI=1S/C17H14ClIO3/c18-16-6-3-12(19)9-15(16)17(20)11-1-4-13(5-2-11)22-14-7-8-21-10-14/h1-6,9,14H,7-8,10H2/t14-/m0/s1
InChI Key:
WBBJCIOCSVFCNI-AWEZNQCLSA-N
SMILES:
Ic1ccc(c(c1)C(=O)c1ccc(cc1)O[C@@H]1COCC1)Cl
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
427.968g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
428.65g/mol
Monoisotopic Mass:
427.968g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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