4-Chloro-7-methoxy-6-nitroquinazoline - CAS 55496-69-0
Catalog: |
BB029059 |
Product Name: |
4-Chloro-7-methoxy-6-nitroquinazoline |
CAS: |
55496-69-0 |
Synonyms: |
4-chloro-7-methoxy-6-nitroquinazoline; 4-chloro-7-methoxy-6-nitroquinazoline |
IUPAC Name: | 4-chloro-7-methoxy-6-nitroquinazoline |
Description: | 4-Chloro-7-methoxy-6-nitroquinazoline (CAS# 55496-69-0) is a useful research chemical. |
Molecular Weight: | 239.615 |
Molecular Formula: | C9H6ClN3O3 |
Canonical SMILES: | COC1=C(C=C2C(=C1)N=CN=C2Cl)[N+](=O)[O-] |
InChI: | InChI=1S/C9H6ClN3O3/c1-16-8-3-6-5(2-7(8)13(14)15)9(10)12-4-11-6/h2-4H,1H3 |
InChI Key: | MJFJWOAETHEGGW-UHFFFAOYSA-N |
LogP: | 2.72320 |
Publication Number | Title | Priority Date |
CN-111848584-A | Polysubstituted quinazoline compound and application thereof | 20200710 |
CN-113307797-A | Polysubstituted quinazoline compound and application thereof | 20200710 |
WO-2020009156-A1 | Biaryl ether-type quinazoline derivative | 20180704 |
AU-2019297889-A1 | Biaryl ether-type quinazoline derivatives | 20180704 |
CA-3105602-A1 | Biaryl ether-type quinazoline derivatives | 20180704 |
Complexity: | 273 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.0097688 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.0097688 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 80.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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