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67708-10-5 | 2,4-DINITRO-1,8-NAPHTHALENEDIOL
CAS No: 67708-10-5 Catalog No: AG005QKY MDL No:
Product Description
Catalog Number:
AG005QKY
Chemical Name:
2,4-DINITRO-1,8-NAPHTHALENEDIOL
CAS Number:
67708-10-5
Molecular Formula:
C10H6N2O6
Molecular Weight:
250.1644
IUPAC Name:
2,4-dinitronaphthalene-1,8-diol
InChI:
InChI=1S/C10H6N2O6/c13-8-3-1-2-5-6(11(15)16)4-7(12(17)18)10(14)9(5)8/h1-4,13-14H
InChI Key:
DYQGJEQFJSIIQP-UHFFFAOYSA-N
SMILES:
Oc1cccc2c1c(O)c(cc2[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.023g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
250.166g/mol
Monoisotopic Mass:
250.023g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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