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Home > Nitro Compounds > 16398-23-5
16398-23-5 | 3-Nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one
CAS No: 16398-23-5 Catalog No: AG00J9KD MDL No:MFCD03410225
Product Description
Catalog Number:
AG00J9KD
Chemical Name:
3-Nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one
CAS Number:
16398-23-5
Molecular Formula:
C13H8N2O4
Molecular Weight:
256.2136
MDL Number:
MFCD03410225
IUPAC Name:
9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one
InChI:
InChI=1S/C13H8N2O4/c16-13-9-6-5-8(15(17)18)7-12(9)19-11-4-2-1-3-10(11)14-13/h1-7H,(H,14,16)
InChI Key:
ZECJBSVSQDIAAF-UHFFFAOYSA-N
SMILES:
O=C1Nc2ccccc2Oc2c1ccc(c2)[N+](=O)[O-]
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.048g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.217g/mol
Monoisotopic Mass:
256.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
84.2A^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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