7-Ethoxy-6-nitroquinazolin-4(3H)-one - CAS 936954-09-5
Catalog: |
BB041034 |
Product Name: |
7-Ethoxy-6-nitroquinazolin-4(3H)-one |
CAS: |
936954-09-5 |
Synonyms: |
7-ethoxy-6-nitro-3H-quinazolin-4-one; 7-ethoxy-6-nitro-3H-quinazolin-4-one |
IUPAC Name: | 7-ethoxy-6-nitro-3H-quinazolin-4-one |
Description: | 7-Ethoxy-6-nitroquinazolin-4(3H)-one (CAS# 936954-09-5 ) is a useful research chemical. |
Molecular Weight: | 235.20 |
Molecular Formula: | C10H9N3O4 |
Canonical SMILES: | CCOC1=C(C=C2C(=C1)N=CNC2=O)[N+](=O)[O-] |
InChI: | InChI=1S/C10H9N3O4/c1-2-17-9-4-7-6(3-8(9)13(15)16)10(14)12-5-11-7/h3-5H,2H2,1H3,(H,11,12,14) |
InChI Key: | RKHZCGYIBIQASN-UHFFFAOYSA-N |
Storage: | 2-8 ℃ |
LogP: | 2.16550 |
Publication Number | Title | Priority Date |
US-2020190091-A1 | Nitrogenous heterocyclic compound, preparation method, intermediate, composition, and application | 20170901 |
WO-2019042409-A1 | Nitrogen-containing heterocyclic compound, preparation method, intermediate, composition and application thereof | 20170901 |
EP-3677583-A1 | Nitrogenous heterocyclic compound, preparation method, intermediate, composition, and application | 20170901 |
Complexity: | 352 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.05930578 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.05930578 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 96.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Nitrogen Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS