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141515-84-6 | 1-Hepten-4-one, 5-(4-chlorophenyl)-6-methyl-, (5S)-
CAS No: 141515-84-6 Catalog No: AG001GJE MDL No:
Product Description
Catalog Number:
AG001GJE
Chemical Name:
1-Hepten-4-one, 5-(4-chlorophenyl)-6-methyl-, (5S)-
CAS Number:
141515-84-6
Molecular Formula:
C14H17ClO
Molecular Weight:
236.7372
IUPAC Name:
5-(4-chlorophenyl)-6-methylhept-1-en-4-one
InChI:
InChI=1S/C14H17ClO/c1-4-5-13(16)14(10(2)3)11-6-8-12(15)9-7-11/h4,6-10,14H,1,5H2,2-3H3
InChI Key:
YUQYIYJJOWPPPE-UHFFFAOYSA-N
SMILES:
C=CCC(=O)[C@H](c1ccc(cc1)Cl)C(C)C
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.097g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.739g/mol
Monoisotopic Mass:
236.097g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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