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26029-22-1 | 4H-1-Benzopyran-4-one, 6-chloro-2,3-dihydro-2-(4-methylphenyl)-
CAS No: 26029-22-1 Catalog No: AG002RF0 MDL No:
Product Description
Catalog Number:
AG002RF0
Chemical Name:
4H-1-Benzopyran-4-one, 6-chloro-2,3-dihydro-2-(4-methylphenyl)-
CAS Number:
26029-22-1
Molecular Formula:
C16H13ClO2
Molecular Weight:
272.7262
IUPAC Name:
6-chloro-2-(4-methylphenyl)-2,3-dihydrochromen-4-one
InChI:
InChI=1S/C16H13ClO2/c1-10-2-4-11(5-3-10)16-9-14(18)13-8-12(17)6-7-15(13)19-16/h2-8,16H,9H2,1H3
InChI Key:
VYQDDKOZOLKJGP-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C1CC(=O)c2c(O1)ccc(c2)Cl
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.06g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.728g/mol
Monoisotopic Mass:
272.06g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Literature
| Title | Journal |
|---|---|
| Relationships between the structures of flavanone derivatives and their effects in enhancing early growth response-1 gene expression. | Bioorganic & medicinal chemistry letters 20090415 |
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