Cas no 179688-03-0 (7-Quinazolinol,4-chloro-6-methoxy-, 7-acetate)
179688-03-0 structure
Product Name:7-Quinazolinol,4-chloro-6-methoxy-, 7-acetate
CAS No:179688-03-0
MF:C11H9ClN2O3
MW:252.65376162529
CID:137551
PubChem ID:22243885
Update Time:2025-04-19
7-Quinazolinol,4-chloro-6-methoxy-, 7-acetate Chemical and Physical Properties
Names and Identifiers
-
- 7-Quinazolinol,4-chloro-6-methoxy-, 7-acetate
- (4-chloro-6-methoxyquinazolin-7-yl) acetate
- 7-acetoxy-4-chloro-6-methoxy-quinazolin-4-one
- 4-chloro-6-methoxyquinazolin-7-yl acetate
- 4-chloro-7-acetyloxy-6-methoxyquinazoline
- 7-Acetoxy-4-chloro-6-methoxyquinazoline
- 7-Quinazolinol,4-chloro-6-methoxy-,acetate (ester) (9CI)
- 179688-03-0
- AKOS015911388
- 4-chloro-6-methoxyquinazolin-7-ylacetate
- DTXSID20623775
- SDLKYGFWIOTIHR-UHFFFAOYSA-N
- 7-Quinazolinol,4-chloro-6-methoxy-,7-acetate
- SCHEMBL3427630
-
- Inchi： 1S/C11H9ClN2O3/c1-6(15)17-10-4-8-7(3-9(10)16-2)11(12)14-5-13-8/h3-5H,1-2H3
- InChI Key： SDLKYGFWIOTIHR-UHFFFAOYSA-N
- SMILES： ClC1=C2C=C(C(=CC2=NC=N1)OC(C)=O)OC
Computed Properties
- Exact Mass: 252.03000
- Monoisotopic Mass: 252.0301698g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 290
- 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: 2.2
- Topological Polar Surface Area: 61.3?2
Experimental Properties
- PSA: 61.31000
- LogP: 2.21710
7-Quinazolinol,4-chloro-6-methoxy-, 7-acetate Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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