Cas no 120100-50-7 (Benzoic acid, 3-(bromomethyl)-2,4-dichloro-, methyl ester)
120100-50-7 structure
Product Name:Benzoic acid, 3-(bromomethyl)-2,4-dichloro-, methyl ester
CAS No:120100-50-7
MF:C9H7BrCl2O2
MW:297.960680246353
CID:1209025
PubChem ID:15477480
Update Time:2025-04-20
Benzoic acid, 3-(bromomethyl)-2,4-dichloro-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 3-(bromomethyl)-2,4-dichloro-, methyl ester
- methyl 3-(bromomethyl)-2,4-dichlorobenzoate
- TQP0645
- 120100-50-7
- DSYBYAOEKDFWGJ-UHFFFAOYSA-N
- DTXSID90573137
- DB-096251
- methyl 3-bromomethyl-2,4-dichlorobenzoate
- SCHEMBL3436908
- 3-Bromomethyl-2,4-dichloro benzoic acid methyl ester
-
- Inchi： 1S/C9H7BrCl2O2/c1-14-9(13)5-2-3-7(11)6(4-10)8(5)12/h2-3H,4H2,1H3
- InChI Key： DSYBYAOEKDFWGJ-UHFFFAOYSA-N
- SMILES： BrCC1C(=CC=C(C(=O)OC)C=1Cl)Cl
Computed Properties
- Exact Mass: 295.90065g/mol
- Monoisotopic Mass: 295.90065g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 213
- 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: 3.6
- Topological Polar Surface Area: 26.3?2
Benzoic acid, 3-(bromomethyl)-2,4-dichloro-, methyl ester Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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5. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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