Cas no 1378431-64-1 (Methyl 2-bromo-3-chloro-5-methylbenzoate)
1378431-64-1 structure
Product Name:Methyl 2-bromo-3-chloro-5-methylbenzoate
CAS No:1378431-64-1
MF:C9H8BrClO2
MW:263.515621185303
CID:2190418
Update Time:2023-08-07
Methyl 2-bromo-3-chloro-5-methylbenzoate Chemical and Physical Properties
Names and Identifiers
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- Methyl 2-bromo-3-chloro-5-methylbenzoate
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- Inchi： 1S/C9H8BrClO2/c1-5-3-6(9(12)13-2)8(10)7(11)4-5/h3-4H,1-2H3
- InChI Key： MDMVNUHTNUBNCR-UHFFFAOYSA-N
- SMILES： BrC1C(=CC(C)=CC=1C(=O)OC)Cl
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 198
- Topological Polar Surface Area: 26.3
Methyl 2-bromo-3-chloro-5-methylbenzoate Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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