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141109-91-3 | 4H-1-Benzopyran-4-one, 6-chloro-2-(3-chlorophenyl)-
CAS No: 141109-91-3 Catalog No: AG001FX1 MDL No:
Product Description
Catalog Number:
AG001FX1
Chemical Name:
4H-1-Benzopyran-4-one, 6-chloro-2-(3-chlorophenyl)-
CAS Number:
141109-91-3
Molecular Formula:
C15H8Cl2O2
Molecular Weight:
291.1288
IUPAC Name:
6-chloro-2-(3-chlorophenyl)chromen-4-one
InChI:
InChI=1S/C15H8Cl2O2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H
InChI Key:
VHQCVUYEMJHQEX-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)c1cc(=O)c2c(o1)ccc(c2)Cl
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.99g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.127g/mol
Monoisotopic Mass:
289.99g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
Literature
| Title | Journal |
|---|---|
| QSAR modeling of the interaction of flavonoids with GABA(A) receptor. | European journal of medicinal chemistry 20080801 |
| 3D-QSAR model of flavonoids binding at benzodiazepine site in GABAA receptors. | Journal of medicinal chemistry 20010607 |
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