Cas no 90919-49-6 (Benzoyl chloride,2,3-dimethoxy-5-methyl-)
90919-49-6 structure
Product Name:Benzoyl chloride,2,3-dimethoxy-5-methyl-
CAS No:90919-49-6
MF:C10H11ClO3
MW:214.645542383194
CID:798969
PubChem ID:45081242
Update Time:2025-04-19
Benzoyl chloride,2,3-dimethoxy-5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzoyl chloride,2,3-dimethoxy-5-methyl-
- 2,3-dimethoxy-5-methylbenzoyl chloride
- Benzoyl chloride, 2,3-dimethoxy-5-methyl- (9CI)
- 90919-49-6
- DTXSID00664464
-
- Inchi： 1S/C10H11ClO3/c1-6-4-7(10(11)12)9(14-3)8(5-6)13-2/h4-5H,1-3H3
- InChI Key： SJJPLAOYXDTMMY-UHFFFAOYSA-N
- SMILES： ClC(C1C=C(C)C=C(C=1OC)OC)=O
Computed Properties
- Exact Mass: 214.04
- Monoisotopic Mass: 214.04
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 208
- 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
- Topological Polar Surface Area: 35.5A^2
- XLogP3: 2.7
Benzoyl chloride,2,3-dimethoxy-5-methyl- Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
90919-49-6 (Benzoyl chloride,2,3-dimethoxy-5-methyl-) Related Products
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