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29525-00-6 | 9,10-Anthracenedione, 2,3-dichloro-1,4-dihydroxy-
CAS No: 29525-00-6 Catalog No: AG002YNB MDL No:
Product Description
Catalog Number:
AG002YNB
Chemical Name:
9,10-Anthracenedione, 2,3-dichloro-1,4-dihydroxy-
CAS Number:
29525-00-6
Molecular Formula:
C14H6Cl2O4
Molecular Weight:
309.1010
IUPAC Name:
2,3-dichloro-1,4-dihydroxyanthracene-9,10-dione
InChI:
InChI=1S/C14H6Cl2O4/c15-9-10(16)14(20)8-7(13(9)19)11(17)5-3-1-2-4-6(5)12(8)18/h1-4,19-20H
InChI Key:
LZUADSKQLOWGDZ-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2O)Cl)Cl
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.964g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
309.098g/mol
Monoisotopic Mass:
307.964g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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