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1443344-21-5 | 2',6'-Dimethyl-4'-n-propoxy-2,2,2-trifluoroacetophenone
CAS No: 1443344-21-5 Catalog No: AG01F7S3 MDL No:
Product Description
Catalog Number:
AG01F7S3
Chemical Name:
2',6'-Dimethyl-4'-n-propoxy-2,2,2-trifluoroacetophenone
CAS Number:
1443344-21-5
Molecular Formula:
C13H15F3O2
Molecular Weight:
260.2522
IUPAC Name:
1-(2,6-dimethyl-4-propoxyphenyl)-2,2,2-trifluoroethanone
InChI:
InChI=1S/C13H15F3O2/c1-4-5-18-10-6-8(2)11(9(3)7-10)12(17)13(14,15)16/h6-7H,4-5H2,1-3H3
InChI Key:
KKMLSHZFFHKBTR-UHFFFAOYSA-N
SMILES:
CCCOc1cc(C)c(c(c1)C)C(=O)C(F)(F)F
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.102g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.256g/mol
Monoisotopic Mass:
260.102g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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