Home Halogens Methyl 5-bromo-6-methylnicotinate

Methyl 5-bromo-6-methylnicotinate

CAS No.:
1174028-22-8
Catalog Number:
AG000E9C
Molecular Formula:
C8H8BrNO2
Molecular Weight:
230.0586
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$982
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Product Description
Catalog Number:
AG000E9C
Chemical Name:
Methyl 5-bromo-6-methylnicotinate
CAS Number:
1174028-22-8
Molecular Formula:
C8H8BrNO2
Molecular Weight:
230.0586
MDL Number:
MFCD19440397
IUPAC Name:
methyl 5-bromo-6-methylpyridine-3-carboxylate
InChI:
InChI=1S/C8H8BrNO2/c1-5-7(9)3-6(4-10-5)8(11)12-2/h3-4H,1-2H3
InChI Key:
AOSWEDIDPYRZRA-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc(c(c1)Br)C
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