Cas no 155593-19-4 (1,2-Benzenediol,4,5-dichloro-3-methoxy-(9CI))
155593-19-4 structure
Product Name:1,2-Benzenediol,4,5-dichloro-3-methoxy-(9CI)
CAS No:155593-19-4
MF:C7H6Cl2O3
MW:209.026740550995
CID:107045
Update Time:2022-07-26
1,2-Benzenediol,4,5-dichloro-3-methoxy-(9CI) Chemical and Physical Properties
Names and Identifiers
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- 1,2-Benzenediol,4,5-dichloro-3-methoxy-(9CI)
- 1,2-Benzenediol, 4,5-dichloro-3-methoxy-
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- Inchi： 1S/C7H6Cl2O3/c1-12-7-5(9)3(8)2-4(10)6(7)11/h2,10-11H,1H3
- InChI Key： FEEKHUNFIHHUKV-UHFFFAOYSA-N
- SMILES： C1(O)=CC(Cl)=C(Cl)C(OC)=C1O
Computed Properties
- Exact Mass: 207.969
- Monoisotopic Mass: 207.969
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 156
- 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: 49.7A^2
1,2-Benzenediol,4,5-dichloro-3-methoxy-(9CI) Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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