3-Amino-4-nitrobenzonitrile - CAS 99512-10-4
Catalog: |
BB042302 |
Product Name: |
3-Amino-4-nitrobenzonitrile |
CAS: |
99512-10-4 |
Synonyms: |
3-amino-4-nitrobenzonitrile; 3-amino-4-nitrobenzonitrile |
IUPAC Name: | 3-amino-4-nitrobenzonitrile |
Description: | 3-Amino-4-nitrobenzonitrile (CAS# 99512-10-4) is a useful research chemical. |
Molecular Weight: | 163.13 |
Molecular Formula: | C7H5N3O2 |
Canonical SMILES: | C1=CC(=C(C=C1C#N)N)[N+](=O)[O-] |
InChI: | InChI=1S/C7H5N3O2/c8-4-5-1-2-7(10(11)12)6(9)3-5/h1-3H,9H2 |
InChI Key: | VKQPDHKSUIHUDF-UHFFFAOYSA-N |
MDL: | MFCD18389919 |
LogP: | 2.15308 |
Publication Number | Title | Priority Date |
EP-3604326-A1 | Peptide compound and method for producing same, composition for screening use, and method for selecting peptide compound | 20170321 |
WO-2008043031-A1 | 6-substituted 2-(benzimidazolyl)purine and purinone derivatives for immunosuppression | 20061004 |
US-2006270682-A1 | Substituted Aryloxymethyl Bicyclicmethyl Acetamide Compounds | 20050531 |
US-7514457-B2 | Substituted aryloxymethyl bicyclicmethyl acetamide compounds | 20050531 |
EP-1827427-B1 | Aryloxyethylamine derivatives with a combination of partial dopamine-d2 receptor agonism and serotonin reuptake inhibition | 20041208 |
Complexity: | 227 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.038176411 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.038176411 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 95.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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