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Home > Bromides > 1215860-20-0
1215860-20-0 | 2-Pyridinecarboxylic acid, 5-bromo-6-methyl-, methyl ester
CAS No: 1215860-20-0 Catalog No: AG0015C6 MDL No:MFCD09753045
Product Description
Catalog Number:
AG0015C6
Chemical Name:
2-Pyridinecarboxylic acid, 5-bromo-6-methyl-, methyl ester
CAS Number:
1215860-20-0
Molecular Formula:
C8H8BrNO2
Molecular Weight:
230.0586
MDL Number:
MFCD09753045
IUPAC Name:
methyl 5-bromo-6-methylpyridine-2-carboxylate
InChI:
InChI=1S/C8H8BrNO2/c1-5-6(9)3-4-7(10-5)8(11)12-2/h3-4H,1-2H3
InChI Key:
IZHGDXUQVBDEBG-UHFFFAOYSA-N
SMILES:
Cc1nc(ccc1Br)C(=O)OC
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.974g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.061g/mol
Monoisotopic Mass:
228.974g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Methyl 5-bromo-6-methyl-picolinate. | Acta crystallographica. Section E, Structure reports online 20090101 |
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