Cas no 939760-96-0 (3-NITRO-6,7-DIHYDRO-5H-BENZOCYCLOHEPTENE)
939760-96-0 structure
Product Name:3-NITRO-6,7-DIHYDRO-5H-BENZOCYCLOHEPTENE
CAS No:939760-96-0
MF:C11H11NO2
MW:189.210542917252
CID:1000491
PubChem ID:16244676
Update Time:2025-04-20
3-NITRO-6,7-DIHYDRO-5H-BENZOCYCLOHEPTENE Chemical and Physical Properties
Names and Identifiers
-
- 3-NITRO-6,7-DIHYDRO-5H-BENZOCYCLOHEPTENE
- 2-nitro-8,9-dihydro-7H-benzo[7]annulene
- DTXSID30585794
- 939760-96-0
- AKOS006288757
- 3-Nitro-6,7-dihydro-5H-benzo[7]annulene
- FT-0695591
- DB-315523
-
- Inchi： 1S/C11H11NO2/c13-12(14)11-7-6-9-4-2-1-3-5-10(9)8-11/h2,4,6-8H,1,3,5H2
- InChI Key： IMGQDYNEIBCUDQ-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=CC2C=CCCCC=2C=1)=O
Computed Properties
- Exact Mass: 189.07900
- Monoisotopic Mass: 189.078978594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 244
- 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: 3.4
- Topological Polar Surface Area: 45.8?2
Experimental Properties
- PSA: 45.82000
- LogP: 3.46750
3-NITRO-6,7-DIHYDRO-5H-BENZOCYCLOHEPTENE Related Literature
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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