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1443349-52-7 | 3'-Chloro-4'-n-hexyloxy-2,2,2-trifluoroacetophenone
CAS No: 1443349-52-7 Catalog No: AG01F8TW MDL No:
Product Description
Catalog Number:
AG01F8TW
Chemical Name:
3'-Chloro-4'-n-hexyloxy-2,2,2-trifluoroacetophenone
CAS Number:
1443349-52-7
Molecular Formula:
C14H16ClF3O2
Molecular Weight:
308.7238
IUPAC Name:
1-(3-chloro-4-hexoxyphenyl)-2,2,2-trifluoroethanone
InChI:
InChI=1S/C14H16ClF3O2/c1-2-3-4-5-8-20-12-7-6-10(9-11(12)15)13(19)14(16,17)18/h6-7,9H,2-5,8H2,1H3
InChI Key:
HQBCMYNVYDMOOY-UHFFFAOYSA-N
SMILES:
CCCCCCOc1ccc(cc1Cl)C(=O)C(F)(F)F
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.079g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.725g/mol
Monoisotopic Mass:
308.079g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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