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1443311-03-2 | 3'-Chloro-4'-n-pentoxy-2,2,2-trifluoroacetophenone
CAS No: 1443311-03-2 Catalog No: AG01F927 MDL No:
Product Description
Catalog Number:
AG01F927
Chemical Name:
3'-Chloro-4'-n-pentoxy-2,2,2-trifluoroacetophenone
CAS Number:
1443311-03-2
Molecular Formula:
C13H14ClF3O2
Molecular Weight:
294.6973
IUPAC Name:
1-(3-chloro-4-pentoxyphenyl)-2,2,2-trifluoroethanone
InChI:
InChI=1S/C13H14ClF3O2/c1-2-3-4-7-19-11-6-5-9(8-10(11)14)12(18)13(15,16)17/h5-6,8H,2-4,7H2,1H3
InChI Key:
YZMWUXUYSDISIA-UHFFFAOYSA-N
SMILES:
CCCCCOc1ccc(cc1Cl)C(=O)C(F)(F)F
Properties
Complexity:
294
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:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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