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20526-97-0 | 1(3H)-Isobenzofuranone, 3-[(4-chlorophenyl)methylene]-
CAS No: 20526-97-0 Catalog No: AG0029Z2 MDL No:MFCD02683417
Product Description
Catalog Number:
AG0029Z2
Chemical Name:
1(3H)-Isobenzofuranone, 3-[(4-chlorophenyl)methylene]-
CAS Number:
20526-97-0
Molecular Formula:
C15H9ClO2
Molecular Weight:
256.6838
MDL Number:
MFCD02683417
IUPAC Name:
(3Z)-3-[(4-chlorophenyl)methylidene]-2-benzofuran-1-one
InChI:
InChI=1S/C15H9ClO2/c16-11-7-5-10(6-8-11)9-14-12-3-1-2-4-13(12)15(17)18-14/h1-9H/b14-9-
InChI Key:
OHRFHJYUEWVXBD-ZROIWOOFSA-N
SMILES:
Clc1ccc(cc1)C=C1OC(=O)c2c1cccc2
EC Number:
243-862-5
UNII:
F9B1HR45M3
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
256.029g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.685g/mol
Monoisotopic Mass:
256.029g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Literature
| Title | Journal |
|---|---|
| Anti-HIV activity of stilbene-related heterocyclic compounds. | Bioorganic & medicinal chemistry letters 20060801 |
| Anxiolytic effects of benzalphthalides. | Bioorganic & medicinal chemistry letters 20050801 |
| Anti-Trypanosoma activity of some natural stilbenoids and synthetic related heterocyclic compounds. | Bioorganic & medicinal chemistry letters 20011022 |
| Leishmanicidal activity of some stilbenoids and related heterocyclic compounds. | Bioorganic & medicinal chemistry letters 20010820 |
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