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161957-57-9 | Ethanone, 1-(2-chloro-3-fluorophenyl)-
CAS No: 161957-57-9 Catalog No: AG001SK3 MDL No:MFCD13194221
Product Description
Catalog Number:
AG001SK3
Chemical Name:
Ethanone, 1-(2-chloro-3-fluorophenyl)-
CAS Number:
161957-57-9
Molecular Formula:
C8H6ClFO
Molecular Weight:
172.5840
MDL Number:
MFCD13194221
IUPAC Name:
1-(2-chloro-3-fluorophenyl)ethanone
InChI:
InChI=1S/C8H6ClFO/c1-5(11)6-3-2-4-7(10)8(6)9/h2-4H,1H3
InChI Key:
YLXXXDDQBMAZKT-UHFFFAOYSA-N
SMILES:
CC(=O)c1cccc(c1Cl)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:
2.3
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