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14401-72-0 | Ethanone, 1-(3,5-dichlorophenyl)-
CAS No: 14401-72-0 Catalog No: AG001ISO MDL No:MFCD00045189
Product Description
Catalog Number:
AG001ISO
Chemical Name:
Ethanone, 1-(3,5-dichlorophenyl)-
CAS Number:
14401-72-0
Molecular Formula:
C8H6Cl2O
Molecular Weight:
189.0386
MDL Number:
MFCD00045189
IUPAC Name:
1-(3,5-dichlorophenyl)ethanone
InChI:
InChI=1S/C8H6Cl2O/c1-5(11)6-2-7(9)4-8(10)3-6/h2-4H,1H3
InChI Key:
JGMBBKVZFUHCJC-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc(Cl)cc(c1)Cl
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.98g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.035g/mol
Monoisotopic Mass:
187.98g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| 3,5-Dichloro-salicylaldehyde. | Acta crystallographica. Section E, Structure reports online 20080501 |
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