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89112-90-3 | 4H-1-Benzopyran-4-one, 2-(4-chlorophenyl)-6,8-dimethyl-
CAS No: 89112-90-3 Catalog No: AG003YFA MDL No:
Product Description
Catalog Number:
AG003YFA
Chemical Name:
4H-1-Benzopyran-4-one, 2-(4-chlorophenyl)-6,8-dimethyl-
CAS Number:
89112-90-3
Molecular Formula:
C17H13ClO2
Molecular Weight:
284.7369
IUPAC Name:
2-(4-chlorophenyl)-6,8-dimethylchromen-4-one
InChI:
InChI=1S/C17H13ClO2/c1-10-7-11(2)17-14(8-10)15(19)9-16(20-17)12-3-5-13(18)6-4-12/h3-9H,1-2H3
InChI Key:
WJPUEQAUFDSHFN-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c2c(c1)c(=O)cc(o2)c1ccc(cc1)Cl
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.06g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.739g/mol
Monoisotopic Mass:
284.06g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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