Cas no 57422-10-3 ( )
structure
Product Name:
CAS No:57422-10-3
MF:C16H11NO2
MW:249.264044046402
CID:947015
PubChem ID:293371
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 4-isoquinolin-7-yloxybenzaldehyde
- 4-(isoquinolin-7-yloxy)benzaldehyde
- 4-isoquinolin-7-yloxy-benzaldehyde
- AC1L6K0O
- AC1Q6QGS
- AG-J-70578
- AR-1F7067
- CTK5A6845
- NSC159925
- 57422-10-3
- NSC-159925
- DS-005419
- DTXSID10303675
-
-
- Inchi： 1S/C16H11NO2/c18-11-12-1-4-15(5-2-12)19-16-6-3-13-7-8-17-10-14(13)9-16/h1-11H
- InChI Key： ZHBCGECNXWJJLX-UHFFFAOYSA-N
- SMILES： O(C1C=CC(C=O)=CC=1)C1C=CC2C=CN=CC=2C=1
Computed Properties
- Exact Mass: 249.07903
- Monoisotopic Mass: 249.078978594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 299
- 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: 3.2
- Topological Polar Surface Area: 39.2?2
Experimental Properties
- PSA: 39.19
- LogP: 3.83960
Related Literature
-
Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
-
M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
-
James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
-
5. An investigation of the electrochemical delithiation process of carbon coated α-Fe2O3nanoparticlesAdrian Brandt,Florian Winter,Sebastian Klamor,Frank Berkemeier,Jatinkumar Rana,Rainer P?ttgen,Andrea Balducci J. Mater. Chem. A, 2013,1, 11229-11236
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