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Home > Nitro Compounds > 13292-03-0
13292-03-0 | 9,10-Phenanthrenedione, 4-nitro-
CAS No: 13292-03-0 Catalog No: AG0011EB MDL No:
Product Description
Catalog Number:
AG0011EB
Chemical Name:
9,10-Phenanthrenedione, 4-nitro-
CAS Number:
13292-03-0
Molecular Formula:
C14H7NO4
Molecular Weight:
253.2097
IUPAC Name:
4-nitrophenanthrene-9,10-dione
InChI:
InChI=1S/C14H7NO4/c16-13-9-5-2-1-4-8(9)12-10(14(13)17)6-3-7-11(12)15(18)19/h1-7H
InChI Key:
ZJQSMTNUXDRCDQ-UHFFFAOYSA-N
SMILES:
O=C1C(=O)c2ccccc2c2c1cccc2[N+](=O)[O-]
NSC Number:
10204
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.038g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.213g/mol
Monoisotopic Mass:
253.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Potent reversible inhibitors of the protein tyrosine phosphatase CD45. | Journal of medicinal chemistry 20010524 |
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