Cas no 501085-55-8 (Benzene, 1,3-dichloro-2-(dimethoxymethyl)-)
501085-55-8 structure
Product Name:Benzene, 1,3-dichloro-2-(dimethoxymethyl)-
CAS No:501085-55-8
MF:C9H10Cl2O2
MW:221.080501079559
CID:1557019
PubChem ID:71366787
Update Time:2025-04-21
Benzene, 1,3-dichloro-2-(dimethoxymethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1,3-dichloro-2-(dimethoxymethyl)-
- 1,3-dichloro-2-(dimethoxymethyl)benzene
- DTXSID20790138
- 501085-55-8
-
- Inchi: 1S/C9H10Cl2O2/c1-12-9(13-2)8-6(10)4-3-5-7(8)11/h3-5,9H,1-2H3
- InChI Key: XGMFARGIQKVTFB-UHFFFAOYSA-N
- SMILES: ClC1C=CC=C(C=1C(OC)OC)Cl
Computed Properties
- Exact Mass: 220.0059
- Monoisotopic Mass: 220.0057849g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 141
- 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: 18.5?2
Experimental Properties
- PSA: 18.46
Benzene, 1,3-dichloro-2-(dimethoxymethyl)- Related Literature
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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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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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