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6393-40-4 | 4-Amino-3-nitrobenzonitrile
CAS No: 6393-40-4 Catalog No: AG003KPR MDL No:MFCD00013373
Product Description
Catalog Number:
AG003KPR
Chemical Name:
4-Amino-3-nitrobenzonitrile
CAS Number:
6393-40-4
Molecular Formula:
C7H5N3O2
Molecular Weight:
163.1335
MDL Number:
MFCD00013373
IUPAC Name:
4-amino-3-nitrobenzonitrile
InChI:
InChI=1S/C7H5N3O2/c8-4-5-1-2-6(9)7(3-5)10(11)12/h1-3H,9H2
InChI Key:
JAHADAZIDZMHOP-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)[N+](=O)[O-])N
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.038g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.136g/mol
Monoisotopic Mass:
163.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
95.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Synthesis and antiparasitic and antifungal evaluation of 2'-arylsubstituted-1H,1'H-[2,5']bisbenzimidazolyl-5-carboxamidines. | European journal of medicinal chemistry 20090501 |
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