Home Halogens 4-Pyridinecarboxylic acid, 3-bromo-5-methyl-, methyl ester

4-Pyridinecarboxylic acid, 3-bromo-5-methyl-, methyl ester

CAS No.:
1804406-70-9
Catalog Number:
AG0021ZZ
Molecular Formula:
C8H8BrNO2
Molecular Weight:
230.0586
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Product Description
Catalog Number:
AG0021ZZ
Chemical Name:
4-Pyridinecarboxylic acid, 3-bromo-5-methyl-, methyl ester
CAS Number:
1804406-70-9
Molecular Formula:
C8H8BrNO2
Molecular Weight:
230.0586
IUPAC Name:
methyl 3-bromo-5-methylpyridine-4-carboxylate
InChI:
InChI=1S/C8H8BrNO2/c1-5-3-10-4-6(9)7(5)8(11)12-2/h3-4H,1-2H3
InChI Key:
DKDRZUXFRIUFCG-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(C)cncc1Br
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:
1.8  
Properties