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3079-22-9 | Methanone, bis(3,5-dinitrophenyl)-
CAS No: 3079-22-9 Catalog No: AG0031A3 MDL No:
Product Description
Catalog Number:
AG0031A3
Chemical Name:
Methanone, bis(3,5-dinitrophenyl)-
CAS Number:
3079-22-9
Molecular Formula:
C13H6N4O9
Molecular Weight:
362.2081
IUPAC Name:
bis(3,5-dinitrophenyl)methanone
InChI:
InChI=1S/C13H6N4O9/c18-13(7-1-9(14(19)20)5-10(2-7)15(21)22)8-3-11(16(23)24)6-12(4-8)17(25)26/h1-6H
InChI Key:
KFCSIQAHBXUNKH-UHFFFAOYSA-N
SMILES:
O=C(c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
NSC Number:
86514
Properties
Complexity:
521
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.013g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
362.21g/mol
Monoisotopic Mass:
362.013g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
200A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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