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Home > Nitro Compounds > 6271-79-0
6271-79-0 | 3,3-DINITROBENZIDINE
CAS No: 6271-79-0 Catalog No: AG003IDQ MDL No:MFCD00024264
Product Description
Catalog Number:
AG003IDQ
Chemical Name:
3,3-DINITROBENZIDINE
CAS Number:
6271-79-0
Molecular Formula:
C12H10N4O4
Molecular Weight:
274.2322
MDL Number:
MFCD00024264
IUPAC Name:
4-(4-amino-3-nitrophenyl)-2-nitroaniline
InChI:
InChI=1S/C12H10N4O4/c13-9-3-1-7(5-11(9)15(17)18)8-2-4-10(14)12(6-8)16(19)20/h1-6H,13-14H2
InChI Key:
OCEINMLGYDSKFW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1N)c1ccc(c(c1)[N+](=O)[O-])N
EC Number:
228-457-3
UNII:
7M226SQ8G9
NSC Number:
37067
Properties
Complexity:
345
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:
1
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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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