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21640-31-3 | 1,3(2H,4H)-Isoquinolinedione, 2-(phenylmethyl)-
CAS No: 21640-31-3 Catalog No: AG007PP3 MDL No:
Product Description
Catalog Number:
AG007PP3
Chemical Name:
1,3(2H,4H)-Isoquinolinedione, 2-(phenylmethyl)-
CAS Number:
21640-31-3
Molecular Formula:
C16H13NO2
Molecular Weight:
251.2799
IUPAC Name:
2-benzyl-4H-isoquinoline-1,3-dione
InChI:
InChI=1S/C16H13NO2/c18-15-10-13-8-4-5-9-14(13)16(19)17(15)11-12-6-2-1-3-7-12/h1-9H,10-11H2
InChI Key:
WLKLQVQYVROPCI-UHFFFAOYSA-N
SMILES:
O=C1Cc2ccccc2C(=O)N1Cc1ccccc1
NSC Number:
116967
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.285g/mol
Monoisotopic Mass:
251.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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