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Home > Bromides > 1256789-95-3
1256789-95-3 | 2-Pyridinecarboxylic acid, 5-bromo-4-methoxy-, methyl ester
CAS No: 1256789-95-3 Catalog No: AG000ODJ MDL No:MFCD18257513
Product Description
Catalog Number:
AG000ODJ
Chemical Name:
2-Pyridinecarboxylic acid, 5-bromo-4-methoxy-, methyl ester
CAS Number:
1256789-95-3
Molecular Formula:
C8H8BrNO3
Molecular Weight:
246.0580
MDL Number:
MFCD18257513
IUPAC Name:
methyl 5-bromo-4-methoxypyridine-2-carboxylate
InChI:
InChI=1S/C8H8BrNO3/c1-12-7-3-6(8(11)13-2)10-4-5(7)9/h3-4H,1-2H3
InChI Key:
PPTFIKIWCZHYRA-UHFFFAOYSA-N
SMILES:
COC(=O)c1ncc(c(c1)OC)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:
0
Isotope Atom Count:
0
Molecular Weight:
246.06g/mol
Monoisotopic Mass:
244.969g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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