4-Chloro-7-quinazolinyl Acetate - CAS 179246-12-9
Catalog: |
BB013553 |
Product Name: |
4-Chloro-7-quinazolinyl Acetate |
CAS: |
179246-12-9 |
Synonyms: |
acetic acid (4-chloro-7-quinazolinyl) ester; (4-chloroquinazolin-7-yl) acetate |
IUPAC Name: | (4-chloroquinazolin-7-yl) acetate |
Description: | 4-Chloro-7-quinazolinyl Acetate (CAS# 179246-12-9 ) is a useful research chemical. |
Molecular Weight: | 222.63 |
Molecular Formula: | C10H7ClN2O2 |
Canonical SMILES: | CC(=O)OC1=CC2=C(C=C1)C(=NC=N2)Cl |
InChI: | InChI=1S/C10H7ClN2O2/c1-6(14)15-7-2-3-8-9(4-7)12-5-13-10(8)11/h2-5H,1H3 |
InChI Key: | DWJJDECJWGWPBW-UHFFFAOYSA-N |
LogP: | 2.20850 |
Publication Number | Title | Priority Date |
EP-0782570-A1 | Substituted heteroaromatic compounds and their use in medicine | 19940919 |
JP-H10505600-A | Substituted heterocyclic compounds and their use in medicine | 19940919 |
WO-9609294-A1 | Substituted heteroaromatic compounds and their use in medicine | 19940919 |
Complexity: | 250 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.0196052 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.0196052 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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