Home Halogens 5-bromo-2-ethoxyisonicotinic acid

5-bromo-2-ethoxyisonicotinic acid

CAS No.:
1379305-67-5
Catalog Number:
AG009CLU
Molecular Formula:
C8H8BrNO3
Molecular Weight:
246.0580
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG009CLU
Chemical Name:
5-bromo-2-ethoxyisonicotinic acid
CAS Number:
1379305-67-5
Molecular Formula:
C8H8BrNO3
Molecular Weight:
246.0580
MDL Number:
MFCD17019252
IUPAC Name:
5-bromo-2-ethoxypyridine-4-carboxylic acid
InChI:
InChI=1S/C8H8BrNO3/c1-2-13-7-3-5(8(11)12)6(9)4-10-7/h3-4H,2H2,1H3,(H,11,12)
InChI Key:
QXZUYOLHQYEFFP-UHFFFAOYSA-N
SMILES:
CCOc1cc(C(=O)O)c(cn1)Br
Properties
Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.969g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
246.06g/mol
Monoisotopic Mass:
244.969g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties