Cas no 802616-47-3 (2,6-Dichloro-4-(methoxycarbonyl)benzoic acid)
802616-47-3 structure
Product Name:2,6-Dichloro-4-(methoxycarbonyl)benzoic acid
CAS No:802616-47-3
MF:C9H6Cl2O4
MW:249.04754114151
CID:2135147
Update Time:2023-08-04
2,6-Dichloro-4-(methoxycarbonyl)benzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 4-(methoxycarbonyl)-2,6-dichlorobenzoic acid
- VZSMXGRLRWSYDQ-UHFFFAOYSA-N
- 1,4-Benzenedicarboxylic acid, 2,6-dichloro-, 4-methyl ester
- 2,6-dichloro-4-methoxycarbonyl benzoic acid
- 2,6-dichloro-4-(methoxycarbonyl)benzoic acid
- 2,6-Dichloro-4-(methoxycarbonyl)benzoic acid
-
- Inchi： 1S/C9H6Cl2O4/c1-15-9(14)4-2-5(10)7(8(12)13)6(11)3-4/h2-3H,1H3,(H,12,13)
- InChI Key： VZSMXGRLRWSYDQ-UHFFFAOYSA-N
- SMILES： ClC1C=C(C(=O)OC)C=C(C=1C(=O)O)Cl
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 257
- Topological Polar Surface Area: 63.6
2,6-Dichloro-4-(methoxycarbonyl)benzoic acid Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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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
802616-47-3 (2,6-Dichloro-4-(methoxycarbonyl)benzoic acid) Related Products
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