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21222-05-9 | Bis(3-nitrophenyl)methanone
CAS No: 21222-05-9 Catalog No: AG003IDR MDL No:MFCD00039740
Product Description
Catalog Number:
AG003IDR
Chemical Name:
Bis(3-nitrophenyl)methanone
CAS Number:
21222-05-9
Molecular Formula:
C13H8N2O5
Molecular Weight:
272.2130
MDL Number:
MFCD00039740
IUPAC Name:
bis(3-nitrophenyl)methanone
InChI:
InChI=1S/C13H8N2O5/c16-13(9-3-1-5-11(7-9)14(17)18)10-4-2-6-12(8-10)15(19)20/h1-8H
InChI Key:
BSDKBWGNIJMCID-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)[N+](=O)[O-])c1cccc(c1)[N+](=O)[O-]
NSC Number:
86515
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.043g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.216g/mol
Monoisotopic Mass:
272.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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