Cas no 145303-71-5 (Methyl 2-(bromomethyl)-4,5-dichlorobenzoate)
145303-71-5 structure
Product Name:Methyl 2-(bromomethyl)-4,5-dichlorobenzoate
CAS No:145303-71-5
MF:C9H7BrCl2O2
MW:297.960680246353
CID:2777916
Update Time:2023-08-07
Methyl 2-(bromomethyl)-4,5-dichlorobenzoate Chemical and Physical Properties
Names and Identifiers
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- Methyl 2-(bromomethyl)-4,5-dichlorobenzoate
- Benzoic acid, 2-(bromomethyl)-4,5-dichloro-, methyl ester
- Methyl 2-(bromomethyl)-4,5 dichlorobenzoate
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- Inchi： 1S/C9H7BrCl2O2/c1-14-9(13)6-3-8(12)7(11)2-5(6)4-10/h2-3H,4H2,1H3
- InChI Key： UFXRTDAXRFGWOH-UHFFFAOYSA-N
- SMILES： BrCC1C=C(C(=CC=1C(=O)OC)Cl)Cl
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 213
- XLogP3: 3.6
- Topological Polar Surface Area: 26.3
Methyl 2-(bromomethyl)-4,5-dichlorobenzoate Related Literature
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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
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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