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Home > Indoles and Oxindole > 346442-46-4
346442-46-4 | 1-(3-nitrobenzyl)-1H-indole-2,3-dione
CAS No: 346442-46-4 Catalog No: AG00JHC8 MDL No:MFCD00684400
Product Description
Catalog Number:
AG00JHC8
Chemical Name:
1-(3-nitrobenzyl)-1H-indole-2,3-dione
CAS Number:
346442-46-4
Molecular Formula:
C15H10N2O4
Molecular Weight:
282.2509
MDL Number:
MFCD00684400
IUPAC Name:
1-[(3-nitrophenyl)methyl]indole-2,3-dione
InChI:
InChI=1S/C15H10N2O4/c18-14-12-6-1-2-7-13(12)16(15(14)19)9-10-4-3-5-11(8-10)17(20)21/h1-8H,9H2
InChI Key:
VTCUAJNKKBKMFZ-UHFFFAOYSA-N
SMILES:
O=C1C(=O)c2c(N1Cc1cccc(c1)[N+](=O)[O-])cccc2
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.064g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.255g/mol
Monoisotopic Mass:
282.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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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