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206255-33-6 | 1,4-Naphthalenedione, 2-chloro-5,8-dihydroxy-3-(3-hydroxyphenoxy)-
CAS No: 206255-33-6 Catalog No: AG002ID8 MDL No:
Product Description
Catalog Number:
AG002ID8
Chemical Name:
1,4-Naphthalenedione, 2-chloro-5,8-dihydroxy-3-(3-hydroxyphenoxy)-
CAS Number:
206255-33-6
Molecular Formula:
C16H9ClO6
Molecular Weight:
332.6921
IUPAC Name:
2-chloro-5,8-dihydroxy-3-(3-hydroxyphenoxy)naphthalene-1,4-dione
InChI:
InChI=1S/C16H9ClO6/c17-13-14(21)11-9(19)4-5-10(20)12(11)15(22)16(13)23-8-3-1-2-7(18)6-8/h1-6,18-20H
InChI Key:
UNMCZMLVYDAHQP-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1)OC1=C(Cl)C(=O)c2c(C1=O)c(O)ccc2O
Properties
Complexity:
545
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.009g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
332.692g/mol
Monoisotopic Mass:
332.009g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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