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162827-53-4 | 4H-1-Benzopyran-4-one, 2-(2,6-dichlorophenyl)-
CAS No: 162827-53-4 Catalog No: AG001TGI MDL No:
Product Description
Catalog Number:
AG001TGI
Chemical Name:
4H-1-Benzopyran-4-one, 2-(2,6-dichlorophenyl)-
CAS Number:
162827-53-4
Molecular Formula:
C15H8Cl2O2
Molecular Weight:
291.1288
IUPAC Name:
2-(2,6-dichlorophenyl)chromen-4-one
InChI:
InChI=1S/C15H8Cl2O2/c16-10-5-3-6-11(17)15(10)14-8-12(18)9-4-1-2-7-13(9)19-14/h1-8H
InChI Key:
CYNNDLWQWHTPJQ-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1c1cc(=O)c2c(o1)cccc2)Cl
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.99g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.127g/mol
Monoisotopic Mass:
289.99g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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