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88486-66-2 | 1-Propanone, 2-chloro-1-[4-(3,3,3-trifluoro-2-methylpropyl)phenyl]-
CAS No: 88486-66-2 Catalog No: AG0049UA MDL No:
Product Description
Catalog Number:
AG0049UA
Chemical Name:
1-Propanone, 2-chloro-1-[4-(3,3,3-trifluoro-2-methylpropyl)phenyl]-
CAS Number:
88486-66-2
Molecular Formula:
C13H14ClF3O
Molecular Weight:
278.6979
IUPAC Name:
2-chloro-1-[4-(3,3,3-trifluoro-2-methylpropyl)phenyl]propan-1-one
InChI:
InChI=1S/C13H14ClF3O/c1-8(13(15,16)17)7-10-3-5-11(6-4-10)12(18)9(2)14/h3-6,8-9H,7H2,1-2H3
InChI Key:
YBCHARHABBTWMA-UHFFFAOYSA-N
SMILES:
CC(C(F)(F)F)Cc1ccc(cc1)C(=O)C(Cl)C
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.069g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.699g/mol
Monoisotopic Mass:
278.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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