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15560-50-6 | 4'-n-Butoxy-3'-chloroacetophenone
CAS No: 15560-50-6 Catalog No: AG01FEHO MDL No:
Product Description
Catalog Number:
AG01FEHO
Chemical Name:
4'-n-Butoxy-3'-chloroacetophenone
CAS Number:
15560-50-6
Molecular Formula:
C12H15ClO2
Molecular Weight:
226.6993
IUPAC Name:
1-(4-butoxy-3-chlorophenyl)ethanone
InChI:
InChI=1S/C12H15ClO2/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:
PNXAFTUQIMZFJS-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1Cl)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:
226.076g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.7g/mol
Monoisotopic Mass:
226.076g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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