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114897-94-8 | 1(2H)-Phthalazinone, 4-[(3,4-dichlorophenyl)methyl]-
CAS No: 114897-94-8 Catalog No: AG000FE7 MDL No:
Product Description
Catalog Number:
AG000FE7
Chemical Name:
1(2H)-Phthalazinone, 4-[(3,4-dichlorophenyl)methyl]-
CAS Number:
114897-94-8
Molecular Formula:
C15H10Cl2N2O
Molecular Weight:
305.1587
IUPAC Name:
4-[(3,4-dichlorophenyl)methyl]-2H-phthalazin-1-one
InChI:
InChI=1S/C15H10Cl2N2O/c16-12-6-5-9(7-13(12)17)8-14-10-3-1-2-4-11(10)15(20)19-18-14/h1-7H,8H2,(H,19,20)
InChI Key:
NXHSNOLSHHNGHD-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1Cl)Cc1n[nH]c(=O)c2c1cccc2
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.017g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
305.158g/mol
Monoisotopic Mass:
304.017g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Literature
| Title | Journal |
|---|---|
| Anti-HIV activity of stilbene-related heterocyclic compounds. | Bioorganic & medicinal chemistry letters 20060801 |
| Vasorelaxant activity of phthalazinones and related compounds. | Bioorganic & medicinal chemistry letters 20060515 |
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