2-Isocyanatobenzonitrile - CAS 42066-86-4
Catalog: |
BB025033 |
Product Name: |
2-Isocyanatobenzonitrile |
CAS: |
42066-86-4 |
Synonyms: |
2-isocyanatobenzonitrile; 2-isocyanatobenzonitrile |
IUPAC Name: | 2-isocyanatobenzonitrile |
Description: | 2-Isocyanatobenzonitrile (CAS# 42066-86-4) is a useful research chemical. |
Molecular Weight: | 144.13 |
Molecular Formula: | C8H4N2O |
Canonical SMILES: | C1=CC=C(C(=C1)C#N)N=C=O |
InChI: | InChI=1S/C8H4N2O/c9-5-7-3-1-2-4-8(7)10-6-11/h1-4H |
InChI Key: | FQLNVWAFXQUXGW-UHFFFAOYSA-N |
Boiling Point: | 266.2 °C at 760 mmHg |
Density: | 1.09 g/cm3 |
LogP: | 1.52558 |
Publication Number | Title | Priority Date |
WO-2021004842-A1 | Polymerizable compositions for preparing polyisocyanurate-based plastics having extended worklife | 20190708 |
CN-108863935-A | A kind of amides compound containing pyrazole ring is preparing the application in herbicide | 20180829 |
CN-108863935-B | Application of amide compound containing pyrazole ring in preparation of herbicide | 20180829 |
WO-2019197638-A1 | Adducts of amine catalysts for producing isocyanurate polymers | 20180413 |
CN-112020525-A | Adducts of amine catalysts for making isocyanurate polymers | 20180413 |
Complexity: | 222 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 144.032362755 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 144.032362755 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 53.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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