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15944-78-2 | 2,1,3-Benzoxadiazole, 5,7-dichloro-4-nitro-
CAS No: 15944-78-2 Catalog No: AG001QPR MDL No:MFCD00460659
Product Description
Catalog Number:
AG001QPR
Chemical Name:
2,1,3-Benzoxadiazole, 5,7-dichloro-4-nitro-
CAS Number:
15944-78-2
Molecular Formula:
C6HCl2N3O3
Molecular Weight:
233.9964
MDL Number:
MFCD00460659
IUPAC Name:
5,7-dichloro-4-nitro-2,1,3-benzoxadiazole
InChI:
InChI=1S/C6HCl2N3O3/c7-2-1-3(8)6(11(12)13)5-4(2)9-14-10-5/h1H
InChI Key:
SCVFVTLATGCDGT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(Cl)cc(c2c1non2)Cl
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.939g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.992g/mol
Monoisotopic Mass:
232.939g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Cysteine-25 of adenylate kinase reacts with dithiothreitol to form an adduct upon aging of the enzyme. | FEBS letters 20011026 |
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