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208265-47-8 | 3-Buten-2-one, 4-(4-chlorophenyl)-1,1,1-trifluoro-
CAS No: 208265-47-8 Catalog No: AG002JM5 MDL No:
Product Description
Catalog Number:
AG002JM5
Chemical Name:
3-Buten-2-one, 4-(4-chlorophenyl)-1,1,1-trifluoro-
CAS Number:
208265-47-8
Molecular Formula:
C10H6ClF3O
Molecular Weight:
234.6022
IUPAC Name:
4-(4-chlorophenyl)-1,1,1-trifluorobut-3-en-2-one
InChI:
InChI=1S/C10H6ClF3O/c11-8-4-1-7(2-5-8)3-6-9(15)10(12,13)14/h1-6H
InChI Key:
QGXPLKVNEDNODZ-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)C=Cc1ccc(cc1)Cl
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.006g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.602g/mol
Monoisotopic Mass:
234.006g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
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