Cas no 1033692-93-1 (5-Bromo-nicotinic acid 2-bromo-benzyl ester)
1033692-93-1 structure
Product Name:5-Bromo-nicotinic acid 2-bromo-benzyl ester
CAS No:1033692-93-1
MF:C13H9Br2NO2
MW:371.024061918259
CID:2622560
Update Time:2025-04-21
5-Bromo-nicotinic acid 2-bromo-benzyl ester Chemical and Physical Properties
Names and Identifiers
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- 5-Bromo-nicotinic acid 2-bromo-benzyl ester
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- Inchi： 1S/C13H9Br2NO2/c14-11-5-10(6-16-7-11)13(17)18-8-9-3-1-2-4-12(9)15/h1-7H,8H2
- InChI Key： BHTAITVOMCYVCR-UHFFFAOYSA-N
- SMILES： BrC1C=CC=CC=1COC(C1C=NC=C(C=1)Br)=O
Computed Properties
- Exact Mass: 370.89795g/mol
- Monoisotopic Mass: 368.9g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 288
- 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
- Molecular Weight: 371.02g/mol
- XLogP3: 3.6
- Topological Polar Surface Area: 39.2?2
5-Bromo-nicotinic acid 2-bromo-benzyl ester Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Jason Wan Lab Chip, 2020,20, 4528-4538
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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