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1443329-77-8 | 3'-Chloro-6'-iso-pentoxy-2,2,2-trifluoroacetophenone
CAS No: 1443329-77-8 Catalog No: AG01F8K3 MDL No:
Product Description
Catalog Number:
AG01F8K3
Chemical Name:
3'-Chloro-6'-iso-pentoxy-2,2,2-trifluoroacetophenone
CAS Number:
1443329-77-8
Molecular Formula:
C13H14ClF3O2
Molecular Weight:
294.6973
IUPAC Name:
1-[5-chloro-2-(3-methylbutoxy)phenyl]-2,2,2-trifluoroethanone
InChI:
InChI=1S/C13H14ClF3O2/c1-8(2)5-6-19-11-4-3-9(14)7-10(11)12(18)13(15,16)17/h3-4,7-8H,5-6H2,1-2H3
InChI Key:
CHYZNFRGOVEQIX-UHFFFAOYSA-N
SMILES:
CC(CCOc1c(Cl)cccc1C(=O)C(F)(F)F)C
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.063g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.698g/mol
Monoisotopic Mass:
294.063g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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