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Home > Nitro Compounds > 865660-44-2
865660-44-2 | 5-nitro-2-oxa-11-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(16),4(9),5,7,12,14-hexaen-10-one
CAS No: 865660-44-2 Catalog No: AG00IOXG MDL No:MFCD04125340
Product Description
Catalog Number:
AG00IOXG
Chemical Name:
5-nitro-2-oxa-11-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(16),4(9),5,7,12,14-hexaen-10-one
CAS Number:
865660-44-2
Molecular Formula:
C14H10N2O4
Molecular Weight:
270.2402
MDL Number:
MFCD04125340
IUPAC Name:
7-nitro-6,12-dihydrobenzo[c][1,6]benzoxazocin-11-one
InChI:
InChI=1S/C14H10N2O4/c17-14-9-4-3-6-12(16(18)19)10(9)8-20-13-7-2-1-5-11(13)15-14/h1-7H,8H2,(H,15,17)
InChI Key:
CXOGSWRXPJHJQW-UHFFFAOYSA-N
SMILES:
O=C1Nc2ccccc2OCc2c1cccc2[N+](=O)[O-]
Properties
Complexity:
395
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:
2.1
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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