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7498-65-9 | Methanone,bis(4-chloro-3-nitrophenyl)-
CAS No: 7498-65-9 Catalog No: AG005F1J MDL No:MFCD00049368
Product Description
Catalog Number:
AG005F1J
Chemical Name:
Methanone,bis(4-chloro-3-nitrophenyl)-
CAS Number:
7498-65-9
Molecular Formula:
C13H6Cl2N2O5
Molecular Weight:
341.1031
MDL Number:
MFCD00049368
IUPAC Name:
bis(4-chloro-3-nitrophenyl)methanone
InChI:
InChI=1S/C13H6Cl2N2O5/c14-9-3-1-7(5-11(9)16(19)20)13(18)8-2-4-10(15)12(6-8)17(21)22/h1-6H
InChI Key:
SOJWEAJNHAWZTG-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1)[N+](=O)[O-])Cl)c1ccc(c(c1)[N+](=O)[O-])Cl
NSC Number:
407564
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.965g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.1g/mol
Monoisotopic Mass:
339.965g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Literature
| Title | Journal |
|---|---|
| Nitrobenzene compounds inhibit expression of VCAM-1. | Bioorganic & medicinal chemistry letters 20010723 |
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