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120122-47-6 | Ethanone, 2,2,2-trichloro-1-(1-methyl-4-nitro-1H-pyrrol-2-yl)-
CAS No: 120122-47-6 Catalog No: AG000QCX MDL No:MFCD03789117
Product Description
Catalog Number:
AG000QCX
Chemical Name:
Ethanone, 2,2,2-trichloro-1-(1-methyl-4-nitro-1H-pyrrol-2-yl)-
CAS Number:
120122-47-6
Molecular Formula:
C7H5Cl3N2O3
Molecular Weight:
271.4852
MDL Number:
MFCD03789117
IUPAC Name:
2,2,2-trichloro-1-(1-methyl-4-nitropyrrol-2-yl)ethanone
InChI:
InChI=1S/C7H5Cl3N2O3/c1-11-3-4(12(14)15)2-5(11)6(13)7(8,9)10/h2-3H,1H3
InChI Key:
WASYNLWEPOHNBM-UHFFFAOYSA-N
SMILES:
O=C(C(Cl)(Cl)Cl)c1cc(cn1C)[N+](=O)[O-]
NSC Number:
742396
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.937g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.478g/mol
Monoisotopic Mass:
269.937g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Synergetic DNA-cleaving activities of the metal complexes of a polyether-tethered pyrrole-polyamide dimer. | Chemistry & biodiversity 20120601 |
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