Cas no 192512-44-0 (Methyl 3-chloro-4-ethoxy-5-methoxybenzoate)
192512-44-0 structure
Product Name:Methyl 3-chloro-4-ethoxy-5-methoxybenzoate
CAS No:192512-44-0
MF:C11H13ClO4
MW:244.671522855759
CID:2787620
Update Time:2023-08-07
Methyl 3-chloro-4-ethoxy-5-methoxybenzoate Chemical and Physical Properties
Names and Identifiers
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- Methyl 3-chloro-4-ethoxy-5-methoxybenzoate
- 5-chloro-4-ethoxy-3-methoxybenzoic acid methyl ester
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- Inchi： 1S/C11H13ClO4/c1-4-16-10-8(12)5-7(11(13)15-3)6-9(10)14-2/h5-6H,4H2,1-3H3
- InChI Key： HASGYKZCIUOLHG-UHFFFAOYSA-N
- SMILES： ClC1=CC(C(=O)OC)=CC(=C1OCC)OC
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 234
- XLogP3: 2.7
- Topological Polar Surface Area: 44.8
Methyl 3-chloro-4-ethoxy-5-methoxybenzoate Related Literature
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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