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964-78-3 | N1-(2,4-Dinitrophenyl)benzene-1,2-diamine
CAS No: 964-78-3 Catalog No: AG01FBR8 MDL No:
Product Description
Catalog Number:
AG01FBR8
Chemical Name:
N1-(2,4-Dinitrophenyl)benzene-1,2-diamine
CAS Number:
964-78-3
Molecular Formula:
C12H10N4O4
Molecular Weight:
274.2322
IUPAC Name:
2-N-(2,4-dinitrophenyl)benzene-1,2-diamine
InChI:
InChI=1S/C12H10N4O4/c13-9-3-1-2-4-10(9)14-11-6-5-8(15(17)18)7-12(11)16(19)20/h1-7,14H,13H2
InChI Key:
SHZZSCLMMWLSRF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1Nc1ccccc1N)[N+](=O)[O-]
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.07g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
274.236g/mol
Monoisotopic Mass:
274.07g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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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