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13061-28-4 | Ethanone, 1-(2,4,5-trichlorophenyl)-
CAS No: 13061-28-4 Catalog No: AG000UPK MDL No:MFCD09261422
Product Description
Catalog Number:
AG000UPK
Chemical Name:
Ethanone, 1-(2,4,5-trichlorophenyl)-
CAS Number:
13061-28-4
Molecular Formula:
C8H5Cl3O
Molecular Weight:
223.4837
MDL Number:
MFCD09261422
IUPAC Name:
1-(2,4,5-trichlorophenyl)ethanone
InChI:
InChI=1S/C8H5Cl3O/c1-4(12)5-2-7(10)8(11)3-6(5)9/h2-3H,1H3
InChI Key:
OPPQOJRXXODMKR-UHFFFAOYSA-N
SMILES:
Clc1cc(C(=O)C)c(cc1Cl)Cl
EC Number:
235-954-9
UNII:
O9M4U4I96I
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.941g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.477g/mol
Monoisotopic Mass:
221.941g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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