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2342-49-6 | 1-Heptanone, 1-(3-chloro-5-fluoro-2-hydroxyphenyl)-
CAS No: 2342-49-6 Catalog No: AG002N6V MDL No:
Product Description
Catalog Number:
AG002N6V
Chemical Name:
1-Heptanone, 1-(3-chloro-5-fluoro-2-hydroxyphenyl)-
CAS Number:
2342-49-6
Molecular Formula:
C13H16ClFO2
Molecular Weight:
258.7163
IUPAC Name:
1-(3-chloro-5-fluoro-2-hydroxyphenyl)heptan-1-one
InChI:
InChI=1S/C13H16ClFO2/c1-2-3-4-5-6-12(16)10-7-9(15)8-11(14)13(10)17/h7-8,17H,2-6H2,1H3
InChI Key:
POGPFFROPQKOOF-UHFFFAOYSA-N
SMILES:
CCCCCCC(=O)c1cc(F)cc(c1O)Cl
NSC Number:
88506
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.082g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.717g/mol
Monoisotopic Mass:
258.082g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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