Cas no 75071-98-6 (2-Chloro-5-methoxy-4-methoxycarbonylbenzoic acid)
75071-98-6 structure
Product Name:2-Chloro-5-methoxy-4-methoxycarbonylbenzoic acid
CAS No:75071-98-6
MF:C10H9ClO5
MW:244.628462553024
CID:2674360
Update Time:2023-08-07
2-Chloro-5-methoxy-4-methoxycarbonylbenzoic acid Chemical and Physical Properties
Names and Identifiers
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- 5-Chloro-2-methoxyterephthalic acid hydrogen 1-methyl ester
- 2-Chloro-5-methoxy-4-methoxycarbonylbenzoic acid
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- Inchi： 1S/C10H9ClO5/c1-15-8-4-5(9(12)13)7(11)3-6(8)10(14)16-2/h3-4H,1-2H3,(H,12,13)
- InChI Key： OLMQISLUSGXVHK-UHFFFAOYSA-N
- SMILES： ClC1=CC(C(=O)OC)=C(C=C1C(=O)O)OC
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 280
- Topological Polar Surface Area: 72.8
2-Chloro-5-methoxy-4-methoxycarbonylbenzoic acid Related Literature
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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