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1201-42-9 | Ethanone, 2-chloro-1-(2,4,5-trichlorophenyl)-
CAS No: 1201-42-9 Catalog No: AG000QB1 MDL No:
Product Description
Catalog Number:
AG000QB1
Chemical Name:
Ethanone, 2-chloro-1-(2,4,5-trichlorophenyl)-
CAS Number:
1201-42-9
Molecular Formula:
C8H4Cl4O
Molecular Weight:
257.9288
IUPAC Name:
2-chloro-1-(2,4,5-trichlorophenyl)ethanone
InChI:
InChI=1S/C8H4Cl4O/c9-3-8(13)4-1-6(11)7(12)2-5(4)10/h1-2H,3H2
InChI Key:
ZCUJOTLYIPZNRZ-UHFFFAOYSA-N
SMILES:
ClCC(=O)c1cc(Cl)c(cc1Cl)Cl
UNII:
6B4NCB2Y72
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.899g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.919g/mol
Monoisotopic Mass:
255.902g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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