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13719-92-1 | 1,4-Naphthalenedione, 2,7-dichloro-5,8-dihydroxy-
CAS No: 13719-92-1 Catalog No: AG0012X8 MDL No:
Product Description
Catalog Number:
AG0012X8
Chemical Name:
1,4-Naphthalenedione, 2,7-dichloro-5,8-dihydroxy-
CAS Number:
13719-92-1
Molecular Formula:
C10H4Cl2O4
Molecular Weight:
259.0424
IUPAC Name:
2,7-dichloro-5,8-dihydroxynaphthalene-1,4-dione
InChI:
InChI=1S/C10H4Cl2O4/c11-3-1-5(13)7-6(14)2-4(12)10(16)8(7)9(3)15/h1-2,13,15H
InChI Key:
RTEXHFYDMNJADB-UHFFFAOYSA-N
SMILES:
ClC1=CC(=O)c2c(C1=O)c(O)c(cc2O)Cl
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.949g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.038g/mol
Monoisotopic Mass:
257.949g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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