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Home > Nitro Compounds > 83293-39-4
83293-39-4 | Selenocyanic acid, (4-nitrophenyl)methyl ester
CAS No: 83293-39-4 Catalog No: AG004T11 MDL No:
Product Description
Catalog Number:
AG004T11
Chemical Name:
Selenocyanic acid, (4-nitrophenyl)methyl ester
CAS Number:
83293-39-4
Molecular Formula:
C8H6N2O2Se
Molecular Weight:
241.1054
IUPAC Name:
(4-nitrophenyl)methyl selenocyanate
InChI:
InChI=1S/C8H6N2O2Se/c9-6-13-5-7-1-3-8(4-2-7)10(11)12/h1-4H,5H2
InChI Key:
XZBLMSQAEGRLRY-UHFFFAOYSA-N
SMILES:
N#C[Se]Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.959g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.119g/mol
Monoisotopic Mass:
241.959g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Selenocyanates and diselenides: a new class of potent antileishmanial agents. | European journal of medicinal chemistry 20110801 |
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