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Home > Nitro Compounds > 135810-39-8
135810-39-8 | 5-methyl-13-nitro-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
CAS No: 135810-39-8 Catalog No: AG00IUZH MDL No:MFCD05669260
Product Description
Catalog Number:
AG00IUZH
Chemical Name:
5-methyl-13-nitro-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
CAS Number:
135810-39-8
Molecular Formula:
C14H10N2O4
Molecular Weight:
270.2402
MDL Number:
MFCD05669260
IUPAC Name:
2-methyl-8-nitro-5H-benzo[b][1,4]benzoxazepin-6-one
InChI:
InChI=1S/C14H10N2O4/c1-8-2-4-11-13(6-8)20-12-5-3-9(16(18)19)7-10(12)14(17)15-11/h2-7H,1H3,(H,15,17)
InChI Key:
PTULHSNFKGQOAW-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)Oc1ccc(cc1C(=O)N2)N(=O)=O
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.064g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.244g/mol
Monoisotopic Mass:
270.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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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