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1443336-72-8 | 3'-Chloro-4'-n-propoxy-2,2,2-trifluoroacetophenone
CAS No: 1443336-72-8 Catalog No: AG01F92P MDL No:
Product Description
Catalog Number:
AG01F92P
Chemical Name:
3'-Chloro-4'-n-propoxy-2,2,2-trifluoroacetophenone
CAS Number:
1443336-72-8
Molecular Formula:
C11H10ClF3O2
Molecular Weight:
266.6441
IUPAC Name:
1-(3-chloro-4-propoxyphenyl)-2,2,2-trifluoroethanone
InChI:
InChI=1S/C11H10ClF3O2/c1-2-5-17-9-4-3-7(6-8(9)12)10(16)11(13,14)15/h3-4,6H,2,5H2,1H3
InChI Key:
MQUKWWTUKKFASK-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(cc1Cl)C(=O)C(F)(F)F
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.032g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.644g/mol
Monoisotopic Mass:
266.032g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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