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126062-23-5 | 1H-2-Benzopyran-1-one, 7-amino-4-chloro-3-(2-methoxyethoxy)-
CAS No: 126062-23-5 Catalog No: AG000QX9 MDL No:
Product Description
Catalog Number:
AG000QX9
Chemical Name:
1H-2-Benzopyran-1-one, 7-amino-4-chloro-3-(2-methoxyethoxy)-
CAS Number:
126062-23-5
Molecular Formula:
C12H12ClNO4
Molecular Weight:
269.6810
IUPAC Name:
7-amino-4-chloro-3-(2-methoxyethoxy)isochromen-1-one
InChI:
InChI=1S/C12H12ClNO4/c1-16-4-5-17-12-10(13)8-3-2-7(14)6-9(8)11(15)18-12/h2-3,6H,4-5,14H2,1H3
InChI Key:
OMXCGKFGFJFIOP-UHFFFAOYSA-N
SMILES:
COCCOc1oc(=O)c2c(c1Cl)ccc(c2)N
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.045g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.681g/mol
Monoisotopic Mass:
269.045g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Synthesis of new 3-alkoxy-7-amino-4-chloro-isocoumarin derivatives as new beta-amyloid peptide production inhibitors and their activities on various classes of protease. | Bioorganic & medicinal chemistry 20030717 |
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