Cas no 17801-99-9 (Benzene, 1,4-dichloro-2-methoxy-5-nitro-)
17801-99-9 structure
Product Name:Benzene, 1,4-dichloro-2-methoxy-5-nitro-
CAS No:17801-99-9
MF:C7H5Cl2NO3
MW:222.025500059128
CID:96190
PubChem ID:13708454
Update Time:2025-04-18
Benzene, 1,4-dichloro-2-methoxy-5-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1,4-dichloro-2-methoxy-5-nitro-
- 1,4-dichloro-2-methoxy-5-nitrobenzene
- 1,4-Dichloro-5-methoxy-2-nitrobenzene
- DTXSID00547309
- DVGWQGRGSAQPQJ-UHFFFAOYSA-N
- E65SHM9BGK
- SCHEMBL2874199
- F95509
- AKOS003632048
- MFCD02660409
- 17801-99-9
- DB-121195
-
- Inchi： 1S/C7H5Cl2NO3/c1-13-7-3-4(8)6(10(11)12)2-5(7)9/h2-3H,1H3
- InChI Key： DVGWQGRGSAQPQJ-UHFFFAOYSA-N
- SMILES： ClC1C=C(C(=CC=1OC)Cl)[N+](=O)[O-]
Computed Properties
- Exact Mass: 220.96475
- Monoisotopic Mass: 220.9646484g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 197
- 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: 2.8
- Topological Polar Surface Area: 55?2
Experimental Properties
- PSA: 52.37
Benzene, 1,4-dichloro-2-methoxy-5-nitro- Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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