Cas no 90141-91-6 (Cinnoline, 4-(3-methylphenyl)-)
90141-91-6 structure
Product Name:Cinnoline, 4-(3-methylphenyl)-
CAS No:90141-91-6
MF:C15H12N2
MW:220.269183158875
CID:793310
PubChem ID:15585567
Update Time:2025-04-19
Cinnoline, 4-(3-methylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Cinnoline, 4-(3-methylphenyl)-
- 4-(3-methylphenyl)cinnoline
- 90141-91-6
- DTXSID30575110
- 4-(m-Tolyl)cinnoline
-
- Inchi： 1S/C15H12N2/c1-11-5-4-6-12(9-11)14-10-16-17-15-8-3-2-7-13(14)15/h2-10H,1H3
- InChI Key： ICQFPEHTLQPTOB-UHFFFAOYSA-N
- SMILES： N1C2C=CC=CC=2C(=CN=1)C1C=CC=C(C)C=1
Computed Properties
- Exact Mass: 220.100048391g/mol
- Monoisotopic Mass: 220.100048391g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 253
- 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: 25.8?2
Cinnoline, 4-(3-methylphenyl)- Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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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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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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