Cas no 1260666-76-9 (Methyl 2-bromo-5-(bromomethyl)isonicotinate)
1260666-76-9 structure
Product Name:Methyl 2-bromo-5-(bromomethyl)isonicotinate
CAS No:1260666-76-9
MF:C8H7Br2NO2
MW:308.954680681229
CID:1084659
PubChem ID:72213783
Update Time:2025-04-20
Methyl 2-bromo-5-(bromomethyl)isonicotinate Chemical and Physical Properties
Names and Identifiers
-
- Methyl 2-bromo-5-(bromomethyl)isonicotinate
- methyl 2-bromo-5-(bromomethyl)pyridine-4-carboxylate
- SCHEMBL22807052
- 1260666-76-9
- AB74319
-
- Inchi: 1S/C8H7Br2NO2/c1-13-8(12)6-2-7(10)11-4-5(6)3-9/h2,4H,3H2,1H3
- InChI Key: ZOJTYLBSGUVGBB-UHFFFAOYSA-N
- SMILES: BrCC1C=NC(=CC=1C(=O)OC)Br
Computed Properties
- Exact Mass: 308.88230g/mol
- Monoisotopic Mass: 306.88435g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 189
- 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: 2.3
- Topological Polar Surface Area: 39.2?2
Methyl 2-bromo-5-(bromomethyl)isonicotinate Related Literature
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
1260666-76-9 (Methyl 2-bromo-5-(bromomethyl)isonicotinate) Related Products
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