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81-46-9 | Benzamide,N-(4-amino-9,10-dihydro-9,10-dioxo-1-anthracenyl)-
CAS No: 81-46-9 Catalog No: AG005KJL MDL No:
Product Description
Catalog Number:
AG005KJL
Chemical Name:
Benzamide,N-(4-amino-9,10-dihydro-9,10-dioxo-1-anthracenyl)-
CAS Number:
81-46-9
Molecular Formula:
C21H14N2O3
Molecular Weight:
342.3475
IUPAC Name:
N-(4-amino-9,10-dioxoanthracen-1-yl)benzamide
InChI:
InChI=1S/C21H14N2O3/c22-15-10-11-16(23-21(26)12-6-2-1-3-7-12)18-17(15)19(24)13-8-4-5-9-14(13)20(18)25/h1-11H,22H2,(H,23,26)
InChI Key:
PXNNPGGYHAWDJW-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)N
EC Number:
201-351-4
NSC Number:
13982
Properties
Complexity:
584
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.1g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
342.354g/mol
Monoisotopic Mass:
342.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
89.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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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