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160246-88-8 | 1,4-Naphthalenedione, 2-iodo-3-phenoxy-
CAS No: 160246-88-8 Catalog No: AG001RTC MDL No:
Product Description
Catalog Number:
AG001RTC
Chemical Name:
1,4-Naphthalenedione, 2-iodo-3-phenoxy-
CAS Number:
160246-88-8
Molecular Formula:
C16H9IO3
Molecular Weight:
376.1453
IUPAC Name:
2-iodo-3-phenoxynaphthalene-1,4-dione
InChI:
InChI=1S/C16H9IO3/c17-13-14(18)11-8-4-5-9-12(11)15(19)16(13)20-10-6-2-1-3-7-10/h1-9H
InChI Key:
JSFGMDNPLIXPNJ-UHFFFAOYSA-N
SMILES:
IC1=C(Oc2ccccc2)C(=O)c2c(C1=O)cccc2
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.96g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
376.149g/mol
Monoisotopic Mass:
375.96g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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