200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 16398-30-4
16398-30-4 | 13-nitro-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaene
CAS No: 16398-30-4 Catalog No: AG00IX3R MDL No:MFCD05669948
Product Description
Catalog Number:
AG00IX3R
Chemical Name:
13-nitro-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaene
CAS Number:
16398-30-4
Molecular Formula:
C13H10N2O3
Molecular Weight:
242.2301
MDL Number:
MFCD05669948
IUPAC Name:
8-nitro-5,6-dihydrobenzo[b][1,4]benzoxazepine
InChI:
InChI=1S/C13H10N2O3/c16-15(17)10-5-6-12-9(7-10)8-14-11-3-1-2-4-13(11)18-12/h1-7,14H,8H2
InChI Key:
GJLQJZJURLIBTR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)CNc1c(O2)cccc1
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.069g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.234g/mol
Monoisotopic Mass:
242.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.