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10228-56-5 | Benzonitrile, 4-(dipropylamino)-3,5-dinitro-
CAS No: 10228-56-5 Catalog No: AG00073T MDL No:
Product Description
Catalog Number:
AG00073T
Chemical Name:
Benzonitrile, 4-(dipropylamino)-3,5-dinitro-
CAS Number:
10228-56-5
Molecular Formula:
C13H16N4O4
Molecular Weight:
292.2905
IUPAC Name:
4-(dipropylamino)-3,5-dinitrobenzonitrile
InChI:
InChI=1S/C13H16N4O4/c1-3-5-15(6-4-2)13-11(16(18)19)7-10(9-14)8-12(13)17(20)21/h7-8H,3-6H2,1-2H3
InChI Key:
ZXNFBRXUWSUFFD-UHFFFAOYSA-N
SMILES:
CCCN(c1c(cc(cc1[N+](=O)[O-])C#N)[N+](=O)[O-])CCC
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.117g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.295g/mol
Monoisotopic Mass:
292.117g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Literature
| Title | Journal |
|---|---|
| Antileishmanial dinitroaniline sulfonamides with activity against parasite tubulin. | Bioorganic & medicinal chemistry letters 20020902 |
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