Home Halogens 2-(5-bromo-2-methoxypyridin-3-yl)acetic acid

2-(5-bromo-2-methoxypyridin-3-yl)acetic acid

CAS No.:
1227593-20-5
Catalog Number:
AG01A3W0
Molecular Formula:
C8H8BrNO3
Molecular Weight:
246.0580
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Product Description
Catalog Number:
AG01A3W0
Chemical Name:
2-(5-bromo-2-methoxypyridin-3-yl)acetic acid
CAS Number:
1227593-20-5
Molecular Formula:
C8H8BrNO3
Molecular Weight:
246.0580
MDL Number:
MFCD16609438
IUPAC Name:
2-(5-bromo-2-methoxypyridin-3-yl)acetic acid
InChI:
InChI=1S/C8H8BrNO3/c1-13-8-5(3-7(11)12)2-6(9)4-10-8/h2,4H,3H2,1H3,(H,11,12)
InChI Key:
IKNLMQJLSHPJMJ-UHFFFAOYSA-N
SMILES:
COc1ncc(cc1CC(=O)O)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:
1.3  
Properties