Cas no 16220-96-5 (Methyl 5-chloro-2-methoxy-3-methylbenzoate)
16220-96-5 structure
Product Name:Methyl 5-chloro-2-methoxy-3-methylbenzoate
CAS No:16220-96-5
MF:C10H11ClO3
MW:214.645542383194
CID:2780566
Update Time:2023-08-06
Methyl 5-chloro-2-methoxy-3-methylbenzoate Chemical and Physical Properties
Names and Identifiers
-
- METHYL 5-CHLORO-2-METHOXY-3-METHYLBENZOATE
- STL367906
- AB66257
- Methyl 5-chloro-2-methoxy-3-methylbenzoate
-
- Inchi： 1S/C10H11ClO3/c1-6-4-7(11)5-8(9(6)13-2)10(12)14-3/h4-5H,1-3H3
- InChI Key： YDMTVSXHQOWZPY-UHFFFAOYSA-N
- SMILES： ClC1C=C(C(=O)OC)C(=C(C)C=1)OC
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 208
- XLogP3: 2.7
- Topological Polar Surface Area: 35.5
Methyl 5-chloro-2-methoxy-3-methylbenzoate Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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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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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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