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2923-66-2 | Ethanone, 1-(3-chloro-4-fluorophenyl)-
CAS No: 2923-66-2 Catalog No: AG002XT5 MDL No:MFCD00042203
Product Description
Catalog Number:
AG002XT5
Chemical Name:
Ethanone, 1-(3-chloro-4-fluorophenyl)-
CAS Number:
2923-66-2
Molecular Formula:
C8H6ClFO
Molecular Weight:
172.5840
MDL Number:
MFCD00042203
IUPAC Name:
1-(3-chloro-4-fluorophenyl)ethanone
InChI:
InChI=1S/C8H6ClFO/c1-5(11)6-2-3-8(10)7(9)4-6/h2-4H,1H3
InChI Key:
PCJPESKRPOTNGU-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(c(c1)Cl)F
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.009g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.583g/mol
Monoisotopic Mass:
172.009g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| (E)-2-[1-(3-Chloro-4-fluoro-phen-yl)ethyl-idene]hydrazinecarbothio-amide. | Acta crystallographica. Section E, Structure reports online 20110101 |
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