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Home > Indoles and Oxindole > 88660-14-4
88660-14-4 | 1H-Indole, 1-(4,5-dimethoxy-2-nitrobenzoyl)-2,3-dihydro-
CAS No: 88660-14-4 Catalog No: AG0047VB MDL No:
Product Description
Catalog Number:
AG0047VB
Chemical Name:
1H-Indole, 1-(4,5-dimethoxy-2-nitrobenzoyl)-2,3-dihydro-
CAS Number:
88660-14-4
Molecular Formula:
C17H16N2O5
Molecular Weight:
328.3193
IUPAC Name:
2,3-dihydroindol-1-yl-(4,5-dimethoxy-2-nitrophenyl)methanone
InChI:
InChI=1S/C17H16N2O5/c1-23-15-9-12(14(19(21)22)10-16(15)24-2)17(20)18-8-7-11-5-3-4-6-13(11)18/h3-6,9-10H,7-8H2,1-2H3
InChI Key:
PEZCNBSJEGWHNE-UHFFFAOYSA-N
SMILES:
COc1cc(c(cc1OC)[N+](=O)[O-])C(=O)N1CCc2c1cccc2
Properties
Complexity:
480
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.106g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.324g/mol
Monoisotopic Mass:
328.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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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