Cas no 103604-48-4 (1-Naphthalenecarbonitrile,5-iodo-6-methoxy-)
103604-48-4 structure
Product Name:1-Naphthalenecarbonitrile,5-iodo-6-methoxy-
CAS No:103604-48-4
MF:C12H8INO
MW:309.102495193481
CID:125748
PubChem ID:14344917
Update Time:2025-04-18
1-Naphthalenecarbonitrile,5-iodo-6-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- 1-Naphthalenecarbonitrile,5-iodo-6-methoxy-
- 1-CYANO-5-IODO-6-METHOXYNAPHTHALENE
- 5-iodo-6-methoxynaphthalene-1-carbonitrile
- 1-Naphthalenecarbonitrile,5-iodo-6-methoxy
- 6-Methoxy-5-iodo-1-cyanonaphthalene
- 103604-48-4
- SCHEMBL9806325
- DTXSID90559178
- 5-Iodo-6-methoxy-1-naphthonitrile
-
- Inchi： 1S/C12H8INO/c1-15-11-6-5-9-8(7-14)3-2-4-10(9)12(11)13/h2-6H,1H3
- InChI Key： DHMJKHNLPGQGDX-UHFFFAOYSA-N
- SMILES： IC1C(=CC=C2C(C#N)=CC=CC2=1)OC
Computed Properties
- Exact Mass: 308.96500
- Monoisotopic Mass: 308.96506g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 272
- 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: 3.5
- Topological Polar Surface Area: 33?2
Experimental Properties
- PSA: 33.02000
- LogP: 3.32468
1-Naphthalenecarbonitrile,5-iodo-6-methoxy- Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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