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16208-23-4 | Ethanone, 2,2-dichloro-1-(4-nitrophenyl)-
CAS No: 16208-23-4 Catalog No: AG001SPG MDL No:
Product Description
Catalog Number:
AG001SPG
Chemical Name:
Ethanone, 2,2-dichloro-1-(4-nitrophenyl)-
CAS Number:
16208-23-4
Molecular Formula:
C8H5Cl2NO3
Molecular Weight:
234.0362
IUPAC Name:
2,2-dichloro-1-(4-nitrophenyl)ethanone
InChI:
InChI=1S/C8H5Cl2NO3/c9-8(10)7(12)5-1-3-6(4-2-5)11(13)14/h1-4,8H
InChI Key:
UWFFLLVCDQBEDZ-UHFFFAOYSA-N
SMILES:
ClC(C(=O)c1ccc(cc1)[N+](=O)[O-])Cl
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.965g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.032g/mol
Monoisotopic Mass:
232.965g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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