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Home > Nitro Compounds > 138614-76-3
138614-76-3 | 1H-Phenalen-1-one, 9-[(2,4-dinitrobenzoyl)oxy]-
CAS No: 138614-76-3 Catalog No: AG0018VO MDL No:
Product Description
Catalog Number:
AG0018VO
Chemical Name:
1H-Phenalen-1-one, 9-[(2,4-dinitrobenzoyl)oxy]-
CAS Number:
138614-76-3
Molecular Formula:
C20H10N2O7
Molecular Weight:
390.3026
IUPAC Name:
(9-oxophenalen-1-yl) 2,4-dinitrobenzoate
InChI:
InChI=1S/C20H10N2O7/c23-16-8-4-11-2-1-3-12-5-9-17(19(16)18(11)12)29-20(24)14-7-6-13(21(25)26)10-15(14)22(27)28/h1-10H
InChI Key:
FBLNDUZDNHRCPL-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])Oc1ccc2c3c1C(=O)C=Cc3ccc2
Properties
Complexity:
740
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.049g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
390.307g/mol
Monoisotopic Mass:
390.049g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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