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1443343-95-0 | 4',5'-Difluoro-3'-n-pentoxyacetophenone
CAS No: 1443343-95-0 Catalog No: AG01FCEM MDL No:
Product Description
Catalog Number:
AG01FCEM
Chemical Name:
4',5'-Difluoro-3'-n-pentoxyacetophenone
CAS Number:
1443343-95-0
Molecular Formula:
C13H16F2O2
Molecular Weight:
242.2617
IUPAC Name:
1-(3,4-difluoro-5-pentoxyphenyl)ethanone
InChI:
InChI=1S/C13H16F2O2/c1-3-4-5-6-17-12-8-10(9(2)16)7-11(14)13(12)15/h7-8H,3-6H2,1-2H3
InChI Key:
RHQQHQBNRRUEGW-UHFFFAOYSA-N
SMILES:
CCCCCOc1cc(cc(c1F)F)C(=O)C
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.112g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.266g/mol
Monoisotopic Mass:
242.112g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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