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89112-93-6 | 4H-1-Benzopyran-4-one, 6,8-dichloro-2-(4-chlorophenyl)-
CAS No: 89112-93-6 Catalog No: AG003YF9 MDL No:
Product Description
Catalog Number:
AG003YF9
Chemical Name:
4H-1-Benzopyran-4-one, 6,8-dichloro-2-(4-chlorophenyl)-
CAS Number:
89112-93-6
Molecular Formula:
C15H7Cl3O2
Molecular Weight:
325.5739
IUPAC Name:
6,8-dichloro-2-(4-chlorophenyl)chromen-4-one
InChI:
InChI=1S/C15H7Cl3O2/c16-9-3-1-8(2-4-9)14-7-13(19)11-5-10(17)6-12(18)15(11)20-14/h1-7H
InChI Key:
JVVNMSCBUIIZBK-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1cc(=O)c2c(o1)c(Cl)cc(c2)Cl
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.951g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.569g/mol
Monoisotopic Mass:
323.951g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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