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32690-28-1 | 4,5-Dinitrobenzene-1,2-diamine
CAS No: 32690-28-1 Catalog No: AG003830 MDL No:MFCD03427595
Product Description
Catalog Number:
AG003830
Chemical Name:
4,5-Dinitrobenzene-1,2-diamine
CAS Number:
32690-28-1
Molecular Formula:
C6H6N4O4
Molecular Weight:
198.1362
MDL Number:
MFCD03427595
IUPAC Name:
4,5-dinitrobenzene-1,2-diamine
InChI:
InChI=1S/C6H6N4O4/c7-3-1-5(9(11)12)6(10(13)14)2-4(3)8/h1-2H,7-8H2
InChI Key:
PCSIZKSNIWJKSK-UHFFFAOYSA-N
SMILES:
Nc1cc([N+](=O)[O-])c(cc1N)[N+](=O)[O-]
NSC Number:
170936
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.039g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
198.138g/mol
Monoisotopic Mass:
198.039g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| A simple colorimetric sensor for biologically important anions based on intramolecular charge transfer (ICT). | Journal of photochemistry and photobiology. B, Biology 20091006 |
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