Cas no 643084-72-4 (Quinazoline, 4-chloro-7-ethoxy-6-methoxy-)
643084-72-4 structure
Product Name:Quinazoline, 4-chloro-7-ethoxy-6-methoxy-
CAS No:643084-72-4
MF:C11H11ClN2O2
MW:238.670241594315
CID:1676271
PubChem ID:11770529
Update Time:2025-04-21
Quinazoline, 4-chloro-7-ethoxy-6-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- Quinazoline, 4-chloro-7-ethoxy-6-methoxy-
- 4-chloro-7-ethoxy-6-methoxyquinazoline
- 4-chloro-7-ethoxy-6-methoxy-quinazoline
- 643084-72-4
- DB-305829
- SCHEMBL1013282
- UPIKZBVKOVPPLZ-UHFFFAOYSA-N
-
- Inchi： 1S/C11H11ClN2O2/c1-3-16-10-5-8-7(4-9(10)15-2)11(12)14-6-13-8/h4-6H,3H2,1-2H3
- InChI Key： UPIKZBVKOVPPLZ-UHFFFAOYSA-N
- SMILES： ClC1=C2C=C(C(=CC2=NC=N1)OCC)OC
Computed Properties
- Exact Mass: 238.05103
- Monoisotopic Mass: 238.0509053g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 230
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.8
- Topological Polar Surface Area: 44.2?2
Experimental Properties
- PSA: 44.24
Quinazoline, 4-chloro-7-ethoxy-6-methoxy- Related Literature
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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5. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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