4-Amino-5-nitrophthalonitrile - CAS 79319-38-3
Catalog: |
BB074557 |
Product Name: |
4-Amino-5-nitrophthalonitrile |
CAS: |
79319-38-3 |
Synonyms: |
4-amino-5-nitrobenzene-1,2-dicarbonitrile; 4-Amino-5-nitrophthalonitrile; 4-aMino-5-nitrophthalodinitrile; 5-amino-4-nitrophthalonitrile; 4-Amino-5-nitrophthalonitrile # |
IUPAC Name: | 4-amino-5-nitrobenzene-1,2-dicarbonitrile |
Molecular Weight: | 188.14 |
Molecular Formula: | C8H4N4O2 |
Canonical SMILES: | C1=C(C(=CC(=C1N)[N+](=O)[O-])C#N)C#N |
InChI: | InChI=1S/C8H4N4O2/c9-3-5-1-7(11)8(12(13)14)2-6(5)4-10/h1-2H,11H2 |
InChI Key: | IBTXCLAXNPIBPB-UHFFFAOYSA-N |
Complexity: | 330 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 188.03342538 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 188.03342538 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 119Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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