Cas no 84657-20-5 (2-chloro-4-methoxy-5-methylbenzyl chloride)
84657-20-5 structure
Product Name:2-chloro-4-methoxy-5-methylbenzyl chloride
CAS No:84657-20-5
MF:C9H10Cl2O
MW:205.081100940704
CID:2122019
PubChem ID:68895586
Update Time:2025-04-21
2-chloro-4-methoxy-5-methylbenzyl chloride Chemical and Physical Properties
Names and Identifiers
-
- 2-chloro-4-methoxy-5-methylbenzyl chloride
- 84657-20-5
- SCHEMBL4056315
- DB-330103
-
- Inchi： 1S/C9H10Cl2O/c1-6-3-7(5-10)8(11)4-9(6)12-2/h3-4H,5H2,1-2H3
- InChI Key： VHSGAKPAVNCQMA-UHFFFAOYSA-N
- SMILES： ClC1=CC(=C(C)C=C1CCl)OC
Computed Properties
- Exact Mass: 204.0108703Da
- Monoisotopic Mass: 204.0108703Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 140
- 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: 3.3
- Topological Polar Surface Area: 9.2?2
2-chloro-4-methoxy-5-methylbenzyl chloride Related Literature
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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