4-Chloroquinazoline-7-carbonitrile - CAS 1260759-38-3
Catalog: |
BB006365 |
Product Name: |
4-Chloroquinazoline-7-carbonitrile |
CAS: |
1260759-38-3 |
Synonyms: |
4-chloro-7-quinazolinecarbonitrile; 4-chloroquinazoline-7-carbonitrile |
IUPAC Name: | 4-chloroquinazoline-7-carbonitrile |
Description: | 4-Chloroquinazoline-7-carbonitrile (CAS# 1260759-38-3) is a useful research chemical. |
Molecular Weight: | 189.60 |
Molecular Formula: | C9H4ClN3 |
Canonical SMILES: | C1=CC2=C(C=C1C#N)N=CN=C2Cl |
InChI: | InChI=1S/C9H4ClN3/c10-9-7-2-1-6(4-11)3-8(7)12-5-13-9/h1-3,5H |
InChI Key: | HPPKVEMLKHNBPV-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 °C |
LogP: | 2.15488 |
Publication Number | Title | Priority Date |
US-2016104848-A1 | Organic electroluminescent materials and devices | 20141008 |
US-9397302-B2 | Organic electroluminescent materials and devices | 20141008 |
Complexity: | 234 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.0093748 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.0093748 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 49.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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