Cas no 28082-50-0 (2''-Chloro-5''-nitroacetophenone)
28082-50-0 structure
Product Name:2''-Chloro-5''-nitroacetophenone
CAS No:28082-50-0
MF:C8H6ClNO3
MW:199.591141223907
CID:251747
Update Time:2024-01-26
2''-Chloro-5''-nitroacetophenone Chemical and Physical Properties
Names and Identifiers
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- 2''-Chloro-5''-nitroacetophenone
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- Inchi： 1S/C8H6ClNO3/c1-5(11)7-4-6(10(12)13)2-3-8(7)9/h2-4H,1H3
- InChI Key： PNXVQYABDFYOFY-UHFFFAOYSA-N
- SMILES： C(=O)(C1=CC([N+]([O-])=O)=CC=C1Cl)C
Computed Properties
- Exact Mass: 199.004
- Monoisotopic Mass: 199.004
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 226
- 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: 2.2
- Topological Polar Surface Area: 62.9A^2
Experimental Properties
- Density: 1.378
- Boiling Point: 244.8 °C at 760 mmHg
- Flash Point: 101.8 °C
- Refractive Index: 1.573
- PSA: 62.89000
- LogP: 2.97400
2''-Chloro-5''-nitroacetophenone Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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