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1443335-95-2 | 3'-iso-Butoxy-4'-fluoroacetophenone
CAS No: 1443335-95-2 Catalog No: AG01FDY0 MDL No:
Product Description
Catalog Number:
AG01FDY0
Chemical Name:
3'-iso-Butoxy-4'-fluoroacetophenone
CAS Number:
1443335-95-2
Molecular Formula:
C12H15FO2
Molecular Weight:
210.2447
IUPAC Name:
1-[4-fluoro-3-(2-methylpropoxy)phenyl]ethanone
InChI:
InChI=1S/C12H15FO2/c1-8(2)7-15-12-6-10(9(3)14)4-5-11(12)13/h4-6,8H,7H2,1-3H3
InChI Key:
WGUPWXRHMNUUCN-UHFFFAOYSA-N
SMILES:
CC(COc1cc(ccc1F)C(=O)C)C
Properties
Complexity:
216
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:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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