Cas no 943603-28-9 (8-iodo-2,7-dimethyl-4(3H)-Quinazolinone)
943603-28-9 structure
Product Name:8-iodo-2,7-dimethyl-4(3H)-Quinazolinone
CAS No:943603-28-9
MF:C10H9IN2O
MW:300.095734357834
CID:2125861
Update Time:2023-11-18
8-iodo-2,7-dimethyl-4(3H)-Quinazolinone Chemical and Physical Properties
Names and Identifiers
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- 8-iodo-2,7-dimethyl-4(3H)-Quinazolinone
- ZTPPDJULWBPKHC-UHFFFAOYSA-N
- 8-Iodo-2,7-dimethylquinazolin-4(3H)-one
- 4(3H)-Quinazolinone,8-iodo-2,7-dimethyl-
- CID 135965698
- 4(3H)-Quinazolinone, 8-iodo-2,7-dimethyl-
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- Inchi： 1S/C10H9IN2O/c1-5-3-4-7-9(8(5)11)12-6(2)13-10(7)14/h3-4H,1-2H3,(H,12,13,14)
- InChI Key： ZTPPDJULWBPKHC-UHFFFAOYSA-N
- SMILES： IC1=C(C)C=CC2C(NC(C)=NC=21)=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 290
- Topological Polar Surface Area: 41.5
Experimental Properties
- Density: 1.88±0.1 g/cm3(Predicted)
- Boiling Point: 373.1±52.0 °C(Predicted)
- pka: 1.33±0.20(Predicted)
8-iodo-2,7-dimethyl-4(3H)-Quinazolinone Related Literature
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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