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165263-40-1 | 1-Propanone, 1-(4-butylphenyl)-3-chloro-
CAS No: 165263-40-1 Catalog No: AG001W1L MDL No:
Product Description
Catalog Number:
AG001W1L
Chemical Name:
1-Propanone, 1-(4-butylphenyl)-3-chloro-
CAS Number:
165263-40-1
Molecular Formula:
C13H17ClO
Molecular Weight:
224.7265
IUPAC Name:
1-(4-butylphenyl)-3-chloropropan-1-one
InChI:
InChI=1S/C13H17ClO/c1-2-3-4-11-5-7-12(8-6-11)13(15)9-10-14/h5-8H,2-4,9-10H2,1H3
InChI Key:
ALQYRRXVDCKQCY-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(cc1)C(=O)CCCl
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.097g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.728g/mol
Monoisotopic Mass:
224.097g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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