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Home > Nitro Compounds > 16398-29-1
16398-29-1 | 13-nitro-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,9,12,14-heptaene
CAS No: 16398-29-1 Catalog No: AG00IV36 MDL No:MFCD00506687
Product Description
Catalog Number:
AG00IV36
Chemical Name:
13-nitro-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,9,12,14-heptaene
CAS Number:
16398-29-1
Molecular Formula:
C13H8N2O3
Molecular Weight:
240.2142
MDL Number:
MFCD00506687
IUPAC Name:
8-nitrobenzo[b][1,4]benzoxazepine
InChI:
InChI=1S/C13H8N2O3/c16-15(17)10-5-6-12-9(7-10)8-14-11-3-1-2-4-13(11)18-12/h1-8H
InChI Key:
SYLIEQPXLCNFKC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)C=Nc1c(O2)cccc1
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.053g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.218g/mol
Monoisotopic Mass:
240.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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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