Cas no 142601-43-2 (Benzoic acid, 2,6-dichloro-3-(phenylmethoxy)-, methyl ester)
142601-43-2 structure
Product Name:Benzoic acid, 2,6-dichloro-3-(phenylmethoxy)-, methyl ester
CAS No:142601-43-2
MF:C15H12Cl2O3
MW:311.159982681274
CID:1311777
PubChem ID:23353653
Update Time:2025-04-20
Benzoic acid, 2,6-dichloro-3-(phenylmethoxy)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2,6-dichloro-3-(phenylmethoxy)-, methyl ester
- 142601-43-2
- SCHEMBL7281267
- Methyl 2,6-dichloro-3-(phenylmethoxy)benzoate
- DTXSID601250391
-
- Inchi： 1S/C15H12Cl2O3/c1-19-15(18)13-11(16)7-8-12(14(13)17)20-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3
- InChI Key： QODPBEHOIIOUNV-UHFFFAOYSA-N
- SMILES： ClC1=C(C(=O)OC)C(=CC=C1OCC1C=CC=CC=1)Cl
Computed Properties
- Exact Mass: 310.01646
- Monoisotopic Mass: 310.0163496g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 5
- Complexity: 318
- 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
- XLogP3: 4.5
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
Benzoic acid, 2,6-dichloro-3-(phenylmethoxy)-, methyl ester Related Literature
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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