Home Halogens Methyl-5-bromomethylpyridine-2-carboxylate

Methyl-5-bromomethylpyridine-2-carboxylate

CAS No.:
55876-84-1
Catalog Number:
AG0037A4
Molecular Formula:
C8H8BrNO2
Molecular Weight:
230.0586
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Product Description
Catalog Number:
AG0037A4
Chemical Name:
Methyl-5-bromomethylpyridine-2-carboxylate
CAS Number:
55876-84-1
Molecular Formula:
C8H8BrNO2
Molecular Weight:
230.0586
MDL Number:
MFCD07367952
IUPAC Name:
methyl 5-(bromomethyl)pyridine-2-carboxylate
InChI:
InChI=1S/C8H8BrNO2/c1-12-8(11)7-3-2-6(4-9)5-10-7/h2-3,5H,4H2,1H3
InChI Key:
SIMKVUKTEMRUSF-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cn1)CBr
Properties
Complexity:
163  
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:
3  
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties