4-Isopropyl-2-nitrobenzonitrile - CAS 204850-15-7
Catalog: |
BB016002 |
Product Name: |
4-Isopropyl-2-nitrobenzonitrile |
CAS: |
204850-15-7 |
Synonyms: |
2-nitro-4-propan-2-ylbenzonitrile; 2-nitro-4-propan-2-ylbenzonitrile |
IUPAC Name: | 2-nitro-4-propan-2-ylbenzonitrile |
Description: | 4-Isopropyl-2-nitrobenzonitrile (CAS# 204850-15-7 ) is a useful research chemical. |
Molecular Weight: | 190.20 |
Molecular Formula: | C10H10N2O2 |
Canonical SMILES: | CC(C)C1=CC(=C(C=C1)C#N)[N+](=O)[O-] |
InChI: | InChI=1S/C10H10N2O2/c1-7(2)8-3-4-9(6-11)10(5-8)12(13)14/h3-5,7H,1-2H3 |
InChI Key: | MQVNDMISUCFHRG-UHFFFAOYSA-N |
LogP: | 3.11308 |
Publication Number | Title | Priority Date |
CA-2672737-A1 | Anti-viral compounds | 20061220 |
EP-2094276-A2 | Anti-viral compounds | 20061220 |
TW-I399380-B | Antiviral compound | 20061220 |
US-2011160233-A1 | Anti-viral compounds | 20061220 |
US-8236950-B2 | Anti-viral compounds | 20061220 |
Complexity: | 261 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.074227566 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.074227566 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 69.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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