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Home > Nitro Compounds > 151602-22-1
151602-22-1 | Benzamide, 5-(1-aziridinyl)-2-nitro-4-nitroso-
CAS No: 151602-22-1 Catalog No: AG001NGA MDL No:
Product Description
Catalog Number:
AG001NGA
Chemical Name:
Benzamide, 5-(1-aziridinyl)-2-nitro-4-nitroso-
CAS Number:
151602-22-1
Molecular Formula:
C9H8N4O4
Molecular Weight:
236.1842
IUPAC Name:
5-(aziridin-1-yl)-2-nitro-4-nitrosobenzamide
InChI:
InChI=1S/C9H8N4O4/c10-9(14)5-3-8(12-1-2-12)6(11-15)4-7(5)13(16)17/h3-4H,1-2H2,(H2,10,14)
InChI Key:
QDJJPFCWWLAXMU-UHFFFAOYSA-N
SMILES:
O=Nc1cc([N+](=O)[O-])c(cc1N1CC1)C(=O)N
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.055g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.187g/mol
Monoisotopic Mass:
236.055g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
Literature
| Title | Journal |
|---|---|
| 2-Amino metabolites are key mediators of CB 1954 and SN 23862 bystander effects in nitroreductase GDEPT. | British journal of cancer 20040308 |
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