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20781-62-8 | 4'-n-Butoxy-3'-fluoroacetophenone
CAS No: 20781-62-8 Catalog No: AG01FEI3 MDL No:
Product Description
Catalog Number:
AG01FEI3
Chemical Name:
4'-n-Butoxy-3'-fluoroacetophenone
CAS Number:
20781-62-8
Molecular Formula:
C12H15FO2
Molecular Weight:
210.2447
IUPAC Name:
1-(4-butoxy-3-fluorophenyl)ethanone
InChI:
InChI=1S/C12H15FO2/c1-3-4-7-15-12-6-5-10(9(2)14)8-11(12)13/h5-6,8H,3-4,7H2,1-2H3
InChI Key:
ZPZYLIDZIGMVKQ-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1F)C(=O)C
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.106g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.248g/mol
Monoisotopic Mass:
210.106g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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