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168140-17-8 | 1,4-Naphthalenedione, 2,3-dichloro-6-ethoxy-7-ethyl-5,8-dihydroxy-
CAS No: 168140-17-8 Catalog No: AG001XU7 MDL No:
Product Description
Catalog Number:
AG001XU7
Chemical Name:
1,4-Naphthalenedione, 2,3-dichloro-6-ethoxy-7-ethyl-5,8-dihydroxy-
CAS Number:
168140-17-8
Molecular Formula:
C14H12Cl2O5
Molecular Weight:
331.1481
IUPAC Name:
6,7-dichloro-2-ethoxy-3-ethyl-5,8-dihydroxynaphthalene-1,4-dione
InChI:
InChI=1S/C14H12Cl2O5/c1-3-5-10(17)6-7(13(20)14(5)21-4-2)12(19)9(16)8(15)11(6)18/h18-19H,3-4H2,1-2H3
InChI Key:
GEYITWRZOGJLIU-UHFFFAOYSA-N
SMILES:
CCOc1c(O)c2C(=O)C(=C(C(=O)c2c(c1CC)O)Cl)Cl
Properties
Complexity:
490
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.006g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
331.145g/mol
Monoisotopic Mass:
330.006g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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