Cas no 60712-44-9 (Phenol,3,4,6-trichloro-2-methoxy-)
60712-44-9 structure
Product Name:Phenol,3,4,6-trichloro-2-methoxy-
CAS No:60712-44-9
MF:C7H5Cl3O2
MW:227.47239947319
CID:513100
PubChem ID:43407
Update Time:2025-04-19
Phenol,3,4,6-trichloro-2-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- Phenol,3,4,6-trichloro-2-methoxy-
- 3,4,6-trichloroguaiacol
-
- Inchi： 1S/C7H5Cl3O2/c1-12-7-5(10)3(8)2-4(9)6(7)11/h2,11H,1H3
- InChI Key： HYCQPRXDNCTPOU-UHFFFAOYSA-N
- SMILES： ClC1=C(C=C(C(=C1OC)O)Cl)Cl
Computed Properties
- Exact Mass: 225.935513
- Monoisotopic Mass: 225.935513
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- 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: 3.8
- Topological Polar Surface Area: 29.5
Phenol,3,4,6-trichloro-2-methoxy- Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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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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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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