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83786-18-9 | 2-Propyn-1-one, 1-(4-chlorophenyl)-3-(4-methoxyphenyl)-
CAS No: 83786-18-9 Catalog No: AG004SLI MDL No:
Product Description
Catalog Number:
AG004SLI
Chemical Name:
2-Propyn-1-one, 1-(4-chlorophenyl)-3-(4-methoxyphenyl)-
CAS Number:
83786-18-9
Molecular Formula:
C16H11ClO2
Molecular Weight:
270.7103
IUPAC Name:
1-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-yn-1-one
InChI:
InChI=1S/C16H11ClO2/c1-19-15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-3,5-10H,1H3
InChI Key:
XQTBULAHOPWJMS-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C#CC(=O)c1ccc(cc1)Cl
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.045g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.712g/mol
Monoisotopic Mass:
270.045g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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