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120095-64-9 | Ethanone, 2,2,2-trichloro-1-(1-methyl-4-nitro-1H-imidazol-2-yl)-
CAS No: 120095-64-9 Catalog No: AG000Q9Z MDL No:
Product Description
Catalog Number:
AG000Q9Z
Chemical Name:
Ethanone, 2,2,2-trichloro-1-(1-methyl-4-nitro-1H-imidazol-2-yl)-
CAS Number:
120095-64-9
Molecular Formula:
C6H4Cl3N3O3
Molecular Weight:
272.4733
IUPAC Name:
2,2,2-trichloro-1-(1-methyl-4-nitroimidazol-2-yl)ethanone
InChI:
InChI=1S/C6H4Cl3N3O3/c1-11-2-3(12(14)15)10-5(11)4(13)6(7,8)9/h2H,1H3
InChI Key:
INKVZBLTZFTRTH-UHFFFAOYSA-N
SMILES:
O=C(C(Cl)(Cl)Cl)c1nc(cn1C)[N+](=O)[O-]
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.932g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.466g/mol
Monoisotopic Mass:
270.932g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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