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6883-99-4 | 1,5-DIHYDROXY-2,6-DICHLORO-4,8-DINITROANTHRAQUINONE
CAS No: 6883-99-4 Catalog No: AG006GHY MDL No:
Product Description
Catalog Number:
AG006GHY
Chemical Name:
1,5-DIHYDROXY-2,6-DICHLORO-4,8-DINITROANTHRAQUINONE
CAS Number:
6883-99-4
Molecular Formula:
C14H4Cl2N2O8
Molecular Weight:
399.0962
IUPAC Name:
2,6-dichloro-1,5-dihydroxy-4,8-dinitroanthracene-9,10-dione
InChI:
InChI=1S/C14H4Cl2N2O8/c15-3-1-5(17(23)24)7-9(11(3)19)14(22)8-6(18(25)26)2-4(16)12(20)10(8)13(7)21/h1-2,19-20H
InChI Key:
TXYTTXSUKPOZPN-UHFFFAOYSA-N
SMILES:
Oc1c(Cl)cc(c2c1C(=O)c1c(C2=O)c(O)c(cc1[N+](=O)[O-])Cl)[N+](=O)[O-]
Properties
Complexity:
608
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.934g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
399.092g/mol
Monoisotopic Mass:
397.934g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
166A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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